SCHEMBL4401833

SCHEMBL4401833

CSc1sc(C(=O)O)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.68
LMNA P02545 1/20 0.68
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
GABRG2 P18507 9/20 0.55
GABRB3 P28472 9/20 0.55
GABRA5 P31644 9/20 0.55
GABRA3 P34903 8/20 0.55
GABRA1 P14867 7/20 0.55
GABRA2 P47869 7/20 0.55
LRRK2 Q5S007 2/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 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
SCHEMBL7452104 0.88 NPSR1 (0.68) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7416729 0.85 NPSR1 (0.64) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7458560 0.85 NPSR1 (0.64) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7459195 0.85 NPSR1 (0.75) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL4931496 0.83 NPSR1 (0.62) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7459875 0.82 NPSR1 (0.61) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7463997 0.82 NPSR1 (0.61) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7459881 0.82 NPSR1 (0.61) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7416513 0.81 NPSR1 (0.60) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7414060 0.80 NPSR1 (0.59) NPSR1LMNAKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
EP-0937072-B1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A alpha5 RECEPTOR SUBTYPE MERCK SHARP & DOHME (GB) 2002-01-09 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO disclosed
US-6262103-B1 ALZHEIMER'S DISEASE. MERCK SHARP & DOHME LIMITED (GB) 2001-07-17 US disclosed
US-6156787-A Substituted thienlycyclohexanone derivatives for enhancing cognition MERCK SHARP & DOHME LIMITED (GB) 2000-12-05 US disclosed
US-6143773-A Substituted thienobenzisoxazole derivatives for enhancing cognition MERCK SHARP & DOHME LIMITED (GB) 2000-11-07 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 (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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 NPSR1 405/4885LMNA 2245/4885KDM4E 3000/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 NPSR1 405/4885LMNA 2245/4885KDM4E 3000/4885

“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.