SCHEMBL5523613

SCHEMBL5523613

N#CCNC(=O)C(CNC(=O)c1ccccc1)SCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.46
CTSS P25774 4/20 0.46
CTSK P43235 4/20 0.46
CTSB P07858 4/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
MAPK14 Q16539 1/20 0.43
TACR1 P25103 1/20 0.43
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CTSV O60911 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL5527001 0.90 ESRRG (0.51) CTSLCTSSCTSKCTSBEPHX2
SCHEMBL5524114 0.90 CTSL (0.56) CTSLCTSSCTSKCTSBPPARG
SCHEMBL5534199 0.90 CTSL (0.53) CTSLCTSSCTSKCTSBMAPK14
SCHEMBL5519995 0.89 EPHX2 (0.46) CTSLCTSSCTSKCTSBEPHX2
SCHEMBL6739752 0.88 LMNA (0.53) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5518295 0.88 CTSL (0.51) CTSLCTSSCTSKCTSBMAPK14
SCHEMBL5529158 0.87 CTSL (0.49) CTSLCTSSCTSKCTSBPPARG
SCHEMBL5529048 0.85 CTSL (0.52) CTSLCTSSCTSKCTSBPPARG
SCHEMBL5518429 0.84 CTSL (0.51) CTSLCTSSCTSKCTSBEPHX2
SCHEMBL5526844 0.84 CTSL (0.52) CTSLCTSSCTSKCTSBNPC1

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885

“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.