SCHEMBL6063259

SCHEMBL6063259

CCC[C@H](NC(=O)[C@H](Cc1cccs1)NC(C)C)C(=O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.40
CTSL P07711 2/20 0.40
CTSK P43235 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CTSB P07858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6675849 1.00 CTSS (0.40) CTSSCTSLCTSKCYP3A4CYP2C9
SCHEMBL6652832 0.84 CTSS (0.40) CTSSCYP3A4CYP2C9
SCHEMBL6652838 0.84 CTSS (0.40) CTSSCYP3A4CYP2C9
SCHEMBL6655217 0.82 BACE1 (0.38) CTSKKDM4EALDH1A1
SCHEMBL6653200 0.82 BACE1 (0.38) CTSKKDM4EALDH1A1
SCHEMBL6628301 0.82 BACE1 (0.38) CTSKKDM4EALDH1A1
SCHEMBL6653196 0.82 BACE1 (0.38) CTSKKDM4EALDH1A1
SCHEMBL6062948 0.79 CTSS (0.44) CTSSCTSLCTSKCYP3A4CYP2C9
SCHEMBL6691866 0.79 CTSS (0.44) CTSSCTSLCTSKCYP3A4CYP2C9
SCHEMBL6063270 0.78 DAGLA (0.46) KDM4EALDH1A1LMNA

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-1467738-A1 USE OF PROSTAGLANDIN E SYNTHASE INHIBITORS, OR EP2 OR EP4 RECEPTOR ANTAGONISTS, IN THE TREATMENT OF A PATHOLOGICAL CONDITION OF THE UTERUS Medical Research Council (GB) 2004-10-20 EP claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2003030911-A1 USE OF PROSTAGLANDIN E SYNTHASE INHIBITORS, OR EP2 OR EP4 RECEPTOR ANTAGONISTS, IN THE TREATMENT OF A PATHOLOGICAL CONDITION OF THE UTERUS MEDICAL RESEARCH COUNCIL (GB) 2003-04-17 WO claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (1 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSL 11/4885CTSK 8/4885

“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.