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SCHEMBL5522704

SCHEMBL5522704

CC(C)(C)OC(=O)NCc1cccc(C(=O)NCCC(=O)N[C@@H](C#N)SCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.44
▸ CTSS P25774 6/20 0.40
▸ CTSK P43235 5/20 0.40
▸ CTSB P07858 3/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ CTSL P07711 2/20 0.39
▸ ACE P12821 1/20 0.38
▸ PPARG P37231 3/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ SDCBP O00560 1/20 0.38
▸ SDC2 P34741 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL5519770 0.89 PRMT5 (0.46) CTSSCTSKCTSBIDO1CTSL
SCHEMBL6872546 0.88 PPARG (0.43) PPARGALDH1A1HTTKMT2A
SCHEMBL6876670 0.79 GAA (0.47) ALDH1A1NR1H4HTTKMT2A
SCHEMBL5522709 0.79 CTSS (0.48) GLSCTSSCTSKCTSBIDO1
SCHEMBL9865877 0.75 MEN1 (0.50) GLSNAMPTPPARGNR1H4KMT2A
SCHEMBL5522699 0.75 CTSS (0.55) CTSSCTSKCTSBCTSLPPARG
SCHEMBL5532238 0.75 GPR119 (0.43) NAMPTALDH1A1
SCHEMBL13999403 0.74 ROCK2 (0.50) GLSNAMPTPPARGNR1H4
SCHEMBL6182110 0.73 CTSS (0.43) GLSCTSSCTSKCTSBNAMPT
SCHEMBL6625943 0.72 MMP13 (0.51) GLSNAMPTPPARGNR1H4

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 GLS 879/4885CTSS 10/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GLS 879/4885CTSS 10/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 GLS 879/4885CTSS 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.