SCHEMBL6740960

SCHEMBL6740960

N#CCNC(=O)C(CNC(=O)c1ccccc1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.51
EPHX2 P34913 3/20 0.47
NR1H4 Q96RI1 1/20 0.47
CXCR3 P49682 1/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
GCGR P47871 2/20 0.43
GIPR P48546 1/20 0.43
CTSS P25774 4/20 0.43
CTSK P43235 2/20 0.43
GPR139 Q6DWJ6 1/20 0.43
CTSB P07858 3/20 0.42
HTR2C P28335 1/20 0.42
MAPK14 Q16539 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41

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
SCHEMBL6742143 0.89 MAPK14 (0.52) CTSLCTSSCTSKGPR139CTSB
SCHEMBL6062636 0.88 CTSL (0.46) CTSLCTSSCTSKCTSBMAPK14
SCHEMBL6744822 0.88 CTSL (0.52) CTSLCXCR3CTSSCTSKCTSB
SCHEMBL6061910 0.86 CTSL (0.56) CTSLCTSSCTSKCTSB
SCHEMBL7655925 0.85 CTSL (0.49) CTSLCTSSCTSKCTSB
SCHEMBL7664695 0.85 ESRRG (0.52) CTSLEPHX2NR1H4CTSSCTSK
SCHEMBL6062021 0.85 PPARG (0.46) CTSLEPHX2PPARGCTSSCTSK
SCHEMBL6737517 0.84 CTSL (0.49) CTSLCTSSCTSKCTSB
SCHEMBL6061785 0.84 EPHX2 (0.47) CTSLEPHX2NR1H4GCGRCTSS
SCHEMBL7666762 0.83 CTSL (0.48) CTSLEPHX2CTSSCTSKCTSB

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 2 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 disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSL 10/4885EPHX2 2297/4885NR1H4 2251/4885

“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.