SCHEMBL17896569

SCHEMBL17896569

CC(C)(C)c1cc(C(=O)O)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ RARB P10826 5/20 0.47
▸ RARG P13631 5/20 0.47
▸ NR1H4 Q96RI1 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ RARA P10276 3/20 0.45
▸ PPARG P37231 1/20 0.45
▸ RXRA P19793 3/20 0.44
▸ RXRB P28702 3/20 0.44
▸ RXRG P48443 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ TTR P02766 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ GLRA3 O75311 1/20 0.41

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
SCHEMBL14825526 0.87 LMNA (0.47) LMNAMAPK1HTTRAB9ARARB
SCHEMBL31401262 0.87 LMNA (0.47) LMNAMAPK1HTTRAB9ARARB
SCHEMBL26090159 0.87 LMNA (0.47) LMNAMAPK1HTTRAB9ARARB
SCHEMBL11977452 0.85 LMNA (0.53) LMNAMAPK1HTTRAB9ARARB
SCHEMBL11346841 0.83 AR (0.46) TAS1R3TAS1R1TAS1R2KDM4ECES2
SCHEMBL78878 0.82 TAS1R3 (0.54) LMNAMAPK1HTTRAB9ARXRA
SCHEMBL31438988 0.82 TAS1R3 (0.54) LMNAMAPK1HTTRAB9ARXRA
SCHEMBL13653068 0.82 RARB (0.51) RARBRARGNR1H4RARARXRA
SCHEMBL31401512 0.81 LMNA (0.42) LMNAMAPK1HTTRAB9ARARB
SCHEMBL4207235 0.81 LMNA (0.42) LMNAMAPK1HTTRAB9ARARB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186587-B2 Compound as ACC inhibitor and use thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2021-11-30 — — US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 — — US disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 — — US disclosed
US-20200165265-A1 COMPOUND AS ACC INHIBITOR AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2020-05-28 — — US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 — — US disclosed
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 — — WO disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — US disclosed
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2016-09-01 — — US disclosed
US-9382216-B2 Substituted morpholines as modulators for the calcium sensing receptor LUPIN LIMITED (IN) 2016-07-05 — — 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 (8 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 LMNA 3944/4885MAPK1 3226/4885HTT 3860/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 LMNA 3944/4885MAPK1 3226/4885HTT 3860/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 LMNA 4269/4885MAPK1 2991/4885HTT 3377/4885
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 LMNA 1391/4885MAPK1 1066/4885HTT 2747/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 LMNA 3944/4885MAPK1 3226/4885HTT 3860/4885
US-20200165265-A1 COMPOUND AS ACC INHIBITOR AND USE THEREOF ACACA, ACACB, ACAT2 LMNA 2070/4885MAPK1 1398/4885HTT 3815/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 LMNA 4269/4885MAPK1 2991/4885HTT 3377/4885
US-11186587-B2 Compound as ACC inhibitor and use thereof ACACA, ACACB, ACAT2 LMNA 2070/4885MAPK1 1398/4885HTT 3815/4885

“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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