SCHEMBL6063679

SCHEMBL6063679

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.50
CTSS P25774 3/20 0.50
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
PIN1 Q13526 6/20 0.39
OPRM1 P35372 6/20 0.39
CTSL P07711 1/20 0.37
CTSK P43235 1/20 0.37
CTSF Q9UBX1 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL6737520 0.86 CTSB (0.69) CTSBCTSSTAS1R3TAS1R1PIN1
SCHEMBL6740880 0.86 CTSB (0.38) CTSBCTSSTAS1R3TAS1R1CTSL
SCHEMBL1990970 0.86 CTSB (0.38) CTSBCTSSTAS1R3TAS1R1CTSL
SCHEMBL6740157 0.85 CTSS (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6737534 0.85 CTSB (0.44) CTSBCTSSPIN1CTSLCTSK
SCHEMBL7658551 0.84 CTSL (0.52) CTSBCTSSCTSLCTSKCTSF
SCHEMBL7547881 0.83 CTSB (0.41) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6061640 0.83 RXFP1 (0.40) CTSBCTSSOPRM1CTSLCTSK
SCHEMBL6741608 0.82 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1558021 0.82 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US 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-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US disclosed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP disclosed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSB 2/4885CTSS 1/4885TAS1R3 2716/4885

“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.