SCHEMBL5077522

SCHEMBL5077522

CC(c1ccccc1)C(S)C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HTT P42858 2/20 0.54
ALOX12 P18054 1/20 0.54
CASR P41180 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
CBS P35520 1/20 0.47
RHOA P61586 1/20 0.47
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL7431253 0.88 KCNK3 (0.50) ALDH1A1HTTALOX12MEN1KMT2A
SCHEMBL7441758 0.87 HTT (0.53) ALDH1A1HTTALOX12KDM4ENPC1
SCHEMBL7427961 0.84 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL15647381 0.80 ALDH1A1 (0.64) ALDH1A1HTTALOX12CASRMEN1
SCHEMBL7430635 0.80 CASR (0.46) ALDH1A1HTTCASRMEN1KMT2A
SCHEMBL13381221 0.80 ALDH1A1 (0.74) ALDH1A1HTTALOX12CASRMEN1
SCHEMBL7429896 0.80 ALDH1A1 (0.57) ALDH1A1HTTALOX12CASRMEN1
SCHEMBL13406087 0.79 ALDH1A1 (0.62) ALDH1A1HTTMEN1KMT2ANPC1
SCHEMBL7434602 0.79 ALDH1A1 (0.45) ALDH1A1HTTCASRMEN1KMT2A
SCHEMBL7439464 0.79 ALDH1A1 (0.58) ALDH1A1HTTALOX12CASRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261958-A1 Combination of Organic Compounds WEBB RANDY LEE 2008-10-23 US claimed
US-20080119557-A1 A renin inhibitor, a neutral endopeptidase inhibitor, and optionally a diuretic and angiotensin II receptor blocker for the prevention or delay of a disease or condition mediated by angiotensin II and/or NEP activity; cardiovascular disorders; urogenital disorders of the kidneys; brain disorders WEBB RANDY LEE 2008-05-22 US claimed
EP-1863467-A2 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (US) 2007-12-12 EP claimed
WO-2006086456-A2 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-08-17 WO claimed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP 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 (2 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-20080261958-A1 Combination of Organic Compounds REN, MME, ACE ALDH1A1 565/4885HTT 2911/4885ALOX12 1594/4885
US-20080119557-A1 A renin inhibitor, a neutral endopeptidase inhibitor, and optionally a diuretic and angiotensin II receptor blocker for the prevention or delay of a disease or condition mediated by angiotensin II and/or NEP activity; cardiovascular disorders; urogenital disorders of the kidneys; brain disorders MME, REN, ACE ALDH1A1 1007/4885HTT 1283/4885ALOX12 3551/4885

“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.