SCHEMBL1397374

SCHEMBL1397374

CC1CCc2cc(C(=O)O)sc2C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
DAO P14920 1/20 0.56
TBXAS1 P24557 1/20 0.50
NPC1 O15118 9/20 0.49
RAB9A P51151 7/20 0.49
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
HPGD P15428 1/20 0.46
PRNP P04156 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL3348661 0.87 ALDH1A1 (0.69) ALDH1A1DAONPC1RAB9APLA2G1B
SCHEMBL1397675 0.86 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AHPGDPRNP
SCHEMBL16712256 0.77 ALDH1A1 (0.41) ALDH1A1NPC1RAB9APLA2G1BATG4B
SCHEMBL15980354 0.74 PNMT (0.42) ALDH1A1NPC1RAB9APLA2G1BATG4B
SCHEMBL9835650 0.73 TBXAS1 (0.52) ALDH1A1DAOTBXAS1NPC1RAB9A
SCHEMBL31563886 0.72 ALDH1A1 (0.43) ALDH1A1DAOTBXAS1NPC1RAB9A
SCHEMBL1068704 0.72 ALDH1A1 (1.00) ALDH1A1DAONPC1RAB9AHPGD
SCHEMBL2954334 0.72 DAO (1.00) ALDH1A1DAONPC1RAB9AHPGD
SCHEMBL3347584 0.71 TBXAS1 (0.59) ALDH1A1DAOTBXAS1NPC1RAB9A
SCHEMBL28870926 0.70 ALDH1A1 (0.96) ALDH1A1DAONPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP claimed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 EP claimed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US claimed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 WO claimed
WO-2025097104-A1 THIENYL COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2025-05-08 WO disclosed
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP disclosed
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors CGI PHARMACEUTICALS, INC (US) 2010-06-24 US disclosed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2068849-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
EP-2007726-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-31 EP disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 EP disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185113-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 US disclosed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US disclosed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 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 (3 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-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors BTK, LYN, LCK ALDH1A1 4825/4885DAO 2218/4885TBXAS1 1151/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 ALDH1A1 3686/4885DAO 1611/4885TBXAS1 1211/4885
US-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 ALDH1A1 1248/4885DAO 1852/4885TBXAS1 376/4885

“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.