SCHEMBL186606

SCHEMBL186606

[C-]#[N+]C(CCCC)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MCHR1 Q99705 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MMP13 P45452 6/20 0.38
▸ MMP9 P14780 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29956354 0.97 MCHR1 (0.44) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL31106597 0.95 MCHR1 (0.47) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL31106589 0.95 MCHR1 (0.47) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL9404416 0.90 CA12 (0.49) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL31106608 0.87 MCHR1 (0.41) CA12CA2CA9MCHR1ALDH1A1
SCHEMBL472526 0.83 GAA (0.43) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL11354319 0.82 GAA (0.39) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL6966789 0.81 ALDH1A1 (0.49) CA12CA9MCHR1ALDH1A1CYP3A4
SCHEMBL8970815 0.80 CA12 (0.47) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL30828010 0.79 ALDH1A1 (0.43) CA12CA2CA9SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210800-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2023-07-06 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20210395175-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2021-12-23 — — US disclosed
US-10941095-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2021-03-09 — — US disclosed
US-20190263742-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2019-08-29 — — US disclosed
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 — — US disclosed
US-10118881-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2018-11-06 — — US disclosed
US-20170349516-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-12-07 — — US disclosed
US-9624152-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2017-04-18 — — US disclosed
US-20150344388-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 — — US disclosed
US-7335799-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2008-02-26 — — US disclosed
US-20070179120-A1 administering to a patient a hydroxy compound to treat aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, septicemia and syndrome X ESPERION THERAPEUTICS, INC. (US) 2007-08-02 — — US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 — — EP disclosed
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 — — EP disclosed
US-20050043278-A1 administering to a patient a hydroxy compound to treat aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, septicemia and syndrome X GLAS AMERICAS LLC 2005-02-24 — — US disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 — — WO disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 — — EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 — — US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 — — WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150344388-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 CA12 4096/4885CA2 4266/4885CA9 3547/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 CA12 3143/4885CA2 1157/4885CA9 1780/4885
US-20190263742-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 CA12 4096/4885CA2 4266/4885CA9 3547/4885
US-20170349516-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 CA12 4096/4885CA2 4266/4885CA9 3547/4885
US-10941095-B2 Hydroxyl compounds and compositions for cholesterol management and related uses NR1H3, CYP27A1, NR1H2 CA12 4096/4885CA2 4266/4885CA9 3547/4885
US-20210395175-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 CA12 4096/4885CA2 4266/4885CA9 3547/4885
US-20230210800-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES CYP27A1, NR1H3, PNLIP CA12 4201/4885CA2 4244/4885CA9 2417/4885
US-10118881-B2 Hydroxyl compounds and compositions for cholesterol management and related uses NR1H3, CYP27A1, NR1H2 CA12 4096/4885CA2 4266/4885CA9 3547/4885
US-20070179120-A1 administering to a patient a hydroxy compound to treat aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, septicemia and syndrome X PNLIP, NR1H3, CYP27A1 CA12 4478/4885CA2 4671/4885CA9 3985/4885
US-20050043278-A1 administering to a patient a hydroxy compound to treat aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, septicemia and syndrome X PNLIP, NR1H3, CYP27A1 CA12 4478/4885CA2 4671/4885CA9 3985/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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