SCHEMBL6739752

SCHEMBL6739752

Cc1ccc(CSC(CNC(=O)c2ccccc2)C(=O)NCC#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CTSL P07711 10/20 0.49
CTSS P25774 7/20 0.49
CTSK P43235 5/20 0.49
CTSB P07858 7/20 0.48
POLB P06746 1/20 0.47
CTSV O60911 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5524114 0.93 CTSL (0.56) LMNACTSLCTSSCTSKCTSB
SCHEMBL5529158 0.90 CTSL (0.49) LMNACTSLCTSSCTSKCTSB
SCHEMBL5532170 0.90 CTSB (0.53) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5527001 0.89 ESRRG (0.51) LMNACTSLCTSSCTSKCTSB
SCHEMBL5529048 0.88 CTSL (0.52) LMNACTSLCTSSCTSKCTSB
SCHEMBL5523613 0.88 CTSL (0.46) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5522863 0.88 CTSB (0.62) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5532200 0.86 CTSS (0.61) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5525939 0.86 CTSL (0.54) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5528253 0.86 NPC1 (0.46) LMNACTSLCTSSCTSKCTSB

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 LMNA 1476/4885CTSL 10/4885CTSS 1/4885

“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.