SCHEMBL12995133

SCHEMBL12995133

O=C(CCl)N[C@@H](CO)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ MBTPS1 Q14703 1/20 0.48
▸ PPARG P37231 2/20 0.47
▸ TACR1 P25103 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ CTRB1 P17538 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL27773392 1.00 ACE (0.49) ACEALDH1A1SMN1; SMN2HTTNCOA1
SCHEMBL10660589 0.87 ALDH1A1 (0.51) ACEALDH1A1NCOA1NCOA3MBTPS1
SCHEMBL9681600 0.86 MMP9 (0.48) ACEALDH1A1SMN1; SMN2HTTNCOA1
SCHEMBL13050803 0.85 GAA (0.50) ACEALDH1A1MBTPS1TACR1POLB
SCHEMBL2677964 0.83 CTSK (0.57) ALDH1A1TACR1CTRB1TYR
SCHEMBL7032185 0.83 CTSK (0.57) ALDH1A1TACR1CTRB1TYR
SCHEMBL17446717 0.83 CTSK (0.57) ALDH1A1TACR1CTRB1TYR
SCHEMBL31195801 0.83 ALDH1A1 (0.55) ACEALDH1A1SMN1; SMN2MBTPS1TACR1
SCHEMBL9390488 0.82 TACR1 (0.63) ALDH1A1TACR1POLBKMT2AMEN1
SCHEMBL12294448 0.81 QRFPR (0.46) ACEALDH1A1MBTPS1TACR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919056-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 — — US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 — — US disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 — — US disclosed
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-04-18 — — US disclosed
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-07-10 — — US disclosed
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-07-10 — — US disclosed
US-9981939-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-05-29 — — US disclosed
US-9981939-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-05-29 — — US disclosed
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2017-06-22 — — US disclosed
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2017-06-22 — — US disclosed
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2010-12-02 — — US disclosed
CN-101663290-A The histamine H that comprises cyclobutoxy group 3Receptors ligand UCB PHARMA SA 2010-03-03 — — CN disclosed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 — — WO 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 (7 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-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ACE 3065/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ACE 3065/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group HMGCR, TECR, CYP4A11 ACE 116/4885ALDH1A1 3191/4885SMN1; SMN2 3586/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ACE 3065/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ACE 3065/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ACE 3065/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ACE 3065/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885

“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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