SCHEMBL6062007

SCHEMBL6062007

CCCC(NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)N(C)C)[C@H](O)c1nc2ccccc2o1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.37
PTPN2 P17706 9/20 0.37
ALDH1A1 P00352 1/20 0.37
HSF1 Q00613 2/20 0.34
CTSS P25774 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL6632610 1.00 PTPN1 (0.37) PTPN1PTPN2ALDH1A1HSF1CTSS
SCHEMBL6062004 1.00 PTPN1 (0.37) PTPN1PTPN2ALDH1A1HSF1CTSS
SCHEMBL6628272 0.92 PTPN1 (0.37) PTPN1PTPN2ALDH1A1HSF1
SCHEMBL6632221 0.92 PTPN1 (0.37) PTPN1PTPN2ALDH1A1HSF1
SCHEMBL6062606 0.92 PTPN1 (0.37) PTPN1PTPN2ALDH1A1HSF1
SCHEMBL5424670 0.89 PTPN1 (0.41) PTPN1PTPN2ALDH1A1CTSS
SCHEMBL5424669 0.89 PTPN1 (0.41) PTPN1PTPN2ALDH1A1CTSS
SCHEMBL6702107 0.88 PTPN1 (0.38) PTPN1PTPN2ALDH1A1CTSSCYP3A4
SCHEMBL6632738 0.88 PTPN1 (0.38) PTPN1PTPN2ALDH1A1CTSSCYP3A4
SCHEMBL6630202 0.88 PTPN1 (0.38) PTPN1PTPN2ALDH1A1CTSSCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 PTPN1 2698/4885PTPN2 2893/4885ALDH1A1 4046/4885

“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.