SCHEMBL5523026

SCHEMBL5523026

N#CCNC(=O)C(CSCc1ccccc1)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
CTSL P07711 9/20 0.48
CTSS P25774 6/20 0.48
CTSK P43235 5/20 0.48
CTSB P07858 4/20 0.46
CCR1 P32246 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL5523028 1.00 HDAC1 (0.50) HDAC1CTSLCTSSCTSKCTSB
SCHEMBL5524111 0.82 CTSL (0.71) CTSLCTSSCTSKCTSB
SCHEMBL5524107 0.82 CTSL (0.71) CTSLCTSSCTSKCTSB
SCHEMBL5526529 0.82 CTSB (0.62) CTSLCTSSCTSKCTSB
SCHEMBL5526527 0.82 CTSB (0.62) CTSLCTSSCTSKCTSB
SCHEMBL5530360 0.82 CTSL (0.52) CTSLCTSSCTSKCTSBCCR1
SCHEMBL5530363 0.82 CTSL (0.52) CTSLCTSSCTSKCTSBCCR1
SCHEMBL7661691 0.81 CTSS (0.56) HDAC1CTSLCTSSCTSKCTSB
SCHEMBL7661683 0.81 CTSS (0.56) HDAC1CTSLCTSSCTSKCTSB
SCHEMBL6742386 0.80 CTSS (0.56) CTSLCTSSCTSKCTSB

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 HDAC1 382/4885CTSL 14/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HDAC1 382/4885CTSL 14/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 HDAC1 382/4885CTSL 14/4885CTSS 10/4885

“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.