SCHEMBL5517792

SCHEMBL5517792

N#CCNC(=O)[C@H](CC1CCCCC1)NC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.63
CTSL P07711 10/20 0.63
CTSK P43235 7/20 0.63
CTSB P07858 4/20 0.63
EPHX1 P07099 1/20 0.57
FPR2 P25090 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HTR1E P28566 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR3 Q99500 1/20 0.46
CTSV O60911 2/20 0.45
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
CPB2 Q96IY4 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
SCHEMBL5527516 0.89 CTSS (0.72) CTSSCTSLCTSKCTSBEPHX1
SCHEMBL5525446 0.84 CTSS (0.78) CTSSCTSLCTSKCTSBMETAP2
SCHEMBL5517798 0.79 EPHX1 (0.53) CTSSEPHX1MEN1LMNAHTR1E
SCHEMBL6867271 0.78 CTSL (1.00) CTSSCTSLCTSKCTSB
SCHEMBL5530445 0.78 CTSL (1.00) CTSSCTSLCTSKCTSB
SCHEMBL6875796 0.78 CTSL (1.00) CTSSCTSLCTSKCTSB
SCHEMBL5525339 0.78 CTSL (1.00) CTSSCTSLCTSKCTSB
SCHEMBL5522921 0.78 CTSL (0.68) CTSSCTSLCTSKCTSB
SCHEMBL6019692 0.77 CTSS (0.62) CTSSCTSLCTSKCTSBCTSV
SCHEMBL6020254 0.76 CTSL (0.59) CTSSCTSLCTSKCTSBMEN1

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 7 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
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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 (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 CTSS 10/4885CTSL 14/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 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.