SCHEMBL4717337

SCHEMBL4717337

CC(C)CC(C(=O)N(C)C#N)c1cccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.52
CTSS P25774 11/20 0.52
USP30 Q70CQ3 4/20 0.45
GPR119 Q8TDV5 1/20 0.43
CTSL P07711 10/20 0.41
CTSB P07858 9/20 0.41
CHEK2 O96017 1/20 0.39
S1PR3 Q99500 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
SCHEMBL4715916 0.95 CTSK (0.55) CTSKCTSSUSP30GPR119CTSL
SCHEMBL4711972 0.95 CTSK (0.49) CTSKCTSSUSP30GPR119CTSL
SCHEMBL4716533 0.90 CTSK (0.52) CTSKCTSSUSP30GPR119CTSL
SCHEMBL7504106 0.87 USP30 (0.43) CTSKCTSSUSP30GPR119S1PR3
SCHEMBL4717334 0.86 CTSK (0.70) CTSKCTSSCTSLCTSB
SCHEMBL4714872 0.86 CTSS (0.43) CTSKCTSSUSP30GPR119CTSL
SCHEMBL7438560 0.85 USP30 (0.46) CTSKCTSSUSP30
SCHEMBL4715914 0.81 CTSK (0.75) CTSKCTSSCTSLCTSB
SCHEMBL4711970 0.81 CTSK (0.67) CTSKCTSSCTSLCTSB
SCHEMBL4716437 0.80 CTSK (0.65) CTSKCTSSGPR119CTSLCTSB

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
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US claimed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 US claimed
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 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 (1 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-20020052378-A1 Novel compounds and compositions as protease inhibitors SERPINB1, CTRL, SPINT2 CTSK 52/4885CTSS 27/4885USP30 446/4885

“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.