SCHEMBL6629193

SCHEMBL6629193

CCCC(NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)N(CCOC)C1CCOCC1)[C@H](O)c1nc2ccccc2o1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
PPARA Q07869 9/20 0.32
TSHR P16473 1/20 0.32
PTPN1 P18031 3/20 0.31
PTPN2 P17706 2/20 0.31
PPARG P37231 10/20 0.31
PPARD Q03181 7/20 0.31
REN P00797 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL6629197 1.00 CTSS (0.34) CTSSPPARATSHRPTPN1PTPN2
SCHEMBL6629199 1.00 CTSS (0.34) CTSSPPARATSHRPTPN1PTPN2
SCHEMBL6696433 0.86 CTSS (0.42) CTSS
SCHEMBL6696429 0.86 CTSS (0.42) CTSS
SCHEMBL6630136 0.85 PPARA (0.33) PPARATSHRPTPN1PTPN2PPARG
SCHEMBL6632610 0.82 PTPN1 (0.37) CTSSPTPN1PTPN2PPARG
SCHEMBL6062007 0.82 PTPN1 (0.37) CTSSPTPN1PTPN2PPARG
SCHEMBL6062004 0.82 PTPN1 (0.37) CTSSPTPN1PTPN2PPARG
SCHEMBL6630594 0.81 CTSS (0.35) CTSSPTPN1PTPN2RORC
SCHEMBL6630597 0.81 CTSS (0.35) CTSSPTPN1PTPN2RORC

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 4 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
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 1/4885PPARA 2585/4885TSHR 4359/4885

“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.