SCHEMBL6737523

SCHEMBL6737523

N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.53
CTSS P25774 10/20 0.53
CTSB P07858 10/20 0.53
CTSK P43235 4/20 0.43
CTSV O60911 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6737501 0.91 CTSL (0.63) CTSLCTSSCTSBCTSK
SCHEMBL6737504 0.91 CTSL (0.63) CTSLCTSSCTSBCTSK
SCHEMBL1557334 0.91 CTSL (0.55) CTSLCTSSCTSBCTSKCTSV
SCHEMBL6737932 0.91 CTSL (0.54) CTSLCTSSCTSBCTSKCTSV
SCHEMBL6737536 0.89 CTSB (0.54) CTSLCTSSCTSBCTSK
SCHEMBL1557818 0.87 CTSS (0.52) CTSLCTSSCTSBCTSK
SCHEMBL6744795 0.87 CTSL (0.57) CTSLCTSSCTSBCTSK
SCHEMBL1558022 0.87 CTSL (0.57) CTSLCTSSCTSBCTSK
SCHEMBL6062909 0.87 CTSS (0.45) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL6062036 0.87 CTSB (0.51) CTSLCTSSCTSBCTSKALDH1A1

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 5 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 claimed
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
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP disclosed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSL 10/4885CTSS 1/4885CTSB 2/4885

“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.