SCHEMBL4714816

SCHEMBL4714816

Cc1cccc(CS(=O)(=O)CC(NC(=O)c2ccccc2)C(=O)NCC#N)c1F

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.64
CTSB P07858 12/20 0.64
CTSS P25774 11/20 0.64
CTSK P43235 6/20 0.53
CTSV O60911 1/20 0.48

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
SCHEMBL7666944 1.00 CTSL (0.64) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7661866 0.91 CTSL (0.66) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7661873 0.91 CTSL (0.66) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6737446 0.91 CTSB (0.71) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6737448 0.91 CTSB (0.71) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6739995 0.89 CTSL (0.63) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7664960 0.89 CTSL (0.63) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6740630 0.88 CTSL (0.69) CTSLCTSBCTSSCTSK
SCHEMBL6740626 0.88 CTSL (0.69) CTSLCTSBCTSSCTSK
SCHEMBL7666648 0.88 CTSL (0.61) CTSLCTSBCTSSCTSKCTSV

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US claimed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 US claimed
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US disclosed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 US disclosed
WO-2001049288-A9 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2001-10-25 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 (2 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-20020052378-A1 Novel compounds and compositions as protease inhibitors SERPINB1, CTRL, SPINT2 CTSL 15/4885CTSB 23/4885CTSS 27/4885
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSL 10/4885CTSB 2/4885CTSS 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.