SCHEMBL5526540

SCHEMBL5526540

N#CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.68
CTSS P25774 5/20 0.68
CTSK P43235 4/20 0.68
CTSB P07858 1/20 0.68
REN P00797 1/20 0.51
F2RL1 P55085 4/20 0.49
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5526537 0.84 CTSS (0.53) CTSLCTSSCTSKCTSBREN
SCHEMBL6875796 0.81 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL6867271 0.81 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL5530445 0.81 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL5525339 0.81 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL5525446 0.81 CTSS (0.78) CTSLCTSSCTSKCTSB
SCHEMBL5528235 0.81 CTSL (0.71) CTSLCTSSCTSKCTSBF2RL1
SCHEMBL5530578 0.81 CTSS (0.68) CTSLCTSSCTSKCTSBREN
SCHEMBL5526546 0.80 RAB9A (0.52) CTSSTAS1R3TAS1R1RAB9AALDH1A1
SCHEMBL5526382 0.79 CTSS (0.72) 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 6 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
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP 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.