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SCHEMBL5522774

SCHEMBL5522774

CN(C#N)C(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.53
▸ CTSL P07711 6/20 0.53
▸ CTSK P43235 4/20 0.53
▸ CTSB P07858 3/20 0.53
▸ GRN P28799 2/20 0.53
▸ SORT1 Q99523 2/20 0.53
▸ METAP2 P50579 1/20 0.50
▸ CTSV O60911 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GPR132 Q9UNW8 1/20 0.44
▸ TP53 P04637 1/20 0.43

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
SCHEMBL7535546 0.89 CTSL (0.54) CTSSCTSLCTSKCTSBGRN
SCHEMBL7562349 0.89 CTSL (0.54) CTSSCTSLCTSKCTSBGRN
SCHEMBL5523605 0.88 CTSL (0.53) CTSSCTSLCTSKCTSBGRN
SCHEMBL7567919 0.88 USP30 (0.54) CTSSCTSLCTSKCTSBGRN
SCHEMBL5525335 0.87 CTSL (0.69) CTSSCTSLCTSKCTSBGRN
SCHEMBL5530441 0.87 CTSL (0.69) CTSSCTSLCTSKCTSBGRN
SCHEMBL7539325 0.87 CTSS (0.54) CTSSCTSLCTSKCTSBNPC1
SCHEMBL5520686 0.87 CTSL (0.58) CTSSCTSLCTSKCTSBGRN
SCHEMBL6590402 0.85 CTSL (0.51) CTSSCTSLCTSKCTSBGRN
SCHEMBL7533224 0.85 CTSL (0.54) CTSSCTSLCTSKCTSBGRN

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.