SCHEMBL6675832

SCHEMBL6675832

CCCC(NC(=O)C(CS(=O)(=O)Cc1ccccc1)NC(C)C)C(=O)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6061813 1.00 ALOX15 (0.45) ALOX15TSHRCASP1MAPK1L3MBTL1
SCHEMBL6062841 0.85 MAPK1 (0.44) ALOX15TSHRCASP1MAPK1L3MBTL1
SCHEMBL6689469 0.85 MAPK1 (0.44) ALOX15TSHRCASP1MAPK1L3MBTL1
SCHEMBL6063220 0.84 MAPK1 (0.41) ALOX15TSHRCASP1MAPK1L3MBTL1
SCHEMBL6630489 0.84 MAPK1 (0.41) ALOX15TSHRCASP1MAPK1L3MBTL1
SCHEMBL6630486 0.84 MAPK1 (0.41) ALOX15TSHRCASP1MAPK1L3MBTL1
SCHEMBL6696462 0.84 MAPK1 (0.43) ALOX15TSHRCASP1MAPK1L3MBTL1
SCHEMBL6063798 0.84 MAPK1 (0.43) ALOX15TSHRCASP1MAPK1L3MBTL1
SCHEMBL6627966 0.83 MAPK1 (0.41) MAPK1F2
SCHEMBL6627971 0.83 MAPK1 (0.41) MAPK1F2

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 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.