SCHEMBL6062085

SCHEMBL6062085

CC[C@H](NC(=O)[C@@H](O)CS(=O)(=O)Cc1ccccc1OC(F)F)C(=O)c1nc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GLO1 Q04760 1/20 0.35
CYP26A1 O43174 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6062091 1.00 ALOX15 (0.39) ALOX15TSHRCASP1ALDH1A1GLO1
SCHEMBL6696836 0.83 MAPK1 (0.47) ALOX15TSHRCASP1ALDH1A1
SCHEMBL6633683 0.83 MAPK1 (0.47) ALOX15TSHRCASP1ALDH1A1
SCHEMBL6696592 0.83 MAPK1 (0.47) ALOX15TSHRCASP1ALDH1A1
SCHEMBL6691808 0.83 MAPK1 (0.47) ALOX15TSHRCASP1ALDH1A1
SCHEMBL6629058 0.83 MAPK1 (0.47) ALOX15TSHRCASP1ALDH1A1
SCHEMBL6650551 0.83 MAPK1 (0.47) ALOX15TSHRCASP1ALDH1A1
SCHEMBL6694652 0.83 MAPK1 (0.47) ALOX15TSHRCASP1ALDH1A1
SCHEMBL6692769 0.83 MAPK1 (0.47) ALOX15TSHRCASP1ALDH1A1
SCHEMBL6678568 0.83 MAPK1 (0.47) ALOX15TSHRCASP1ALDH1A1

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
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

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 ALOX15 1254/4885TSHR 4359/4885CASP1 172/4885

“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.