SCHEMBL5526537

SCHEMBL5526537

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.53
CTSK P43235 5/20 0.53
CTSL P07711 4/20 0.53
CTSB P07858 2/20 0.49
REN P00797 1/20 0.48
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
MMP13 P45452 1/20 0.43
PIN1 Q13526 1/20 0.42

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
SCHEMBL5526540 0.84 CTSL (0.68) CTSSCTSKCTSLCTSBREN
SCHEMBL5525443 0.82 CTSL (0.55) CTSSCTSKCTSLCTSB
SCHEMBL5528233 0.81 CTSS (0.58) CTSSCTSKCTSLCTSBMEN1
SCHEMBL5530575 0.81 OPRM1 (0.52) CTSSCTSKCTSLCTSBREN
SCHEMBL5530441 0.81 CTSL (0.69) CTSSCTSKCTSLCTSB
SCHEMBL5525335 0.81 CTSL (0.69) CTSSCTSKCTSLCTSB
SCHEMBL7562349 0.79 CTSL (0.54) CTSSCTSKCTSLCTSBMEN1
SCHEMBL7561468 0.78 CTSS (0.53) CTSSCTSKCTSLCTSB
SCHEMBL7478526 0.78 CTSL (0.48) CTSSCTSKCTSLCTSB
SCHEMBL5529696 0.78 CCR1 (0.54) CTSSCTSKCTSLCTSB

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 10/4885CTSK 32/4885CTSL 14/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSL 14/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSL 14/4885

“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.