SCHEMBL4714872

SCHEMBL4714872

CC(C)CC(C(=O)N(C)C#N)c1cccc(-c2cc(F)ccc2OC2CCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
USP30 Q70CQ3 3/20 0.38
GPR119 Q8TDV5 3/20 0.37
TBK1 Q9UHD2 2/20 0.37
PIK3CD O00329 4/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
BTK Q06187 1/20 0.36
KDM1A O60341 1/20 0.36
PDE4D Q08499 1/20 0.35
PDE4B Q07343 1/20 0.35
CTSL P07711 2/20 0.35
S1PR3 Q99500 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL4714869 0.88 CTSK (0.59) CTSSCTSKCTSLCTSB
SCHEMBL4711972 0.86 CTSK (0.49) CTSSCTSKUSP30GPR119PIK3CD
SCHEMBL4717337 0.86 CTSK (0.52) CTSSCTSKUSP30GPR119CTSL
SCHEMBL4716533 0.82 CTSK (0.52) CTSSCTSKUSP30GPR119KDM1A
SCHEMBL7438560 0.81 USP30 (0.46) CTSSCTSKUSP30TBK1PIK3CD
SCHEMBL4715916 0.81 CTSK (0.55) CTSSCTSKUSP30GPR119CTSL
SCHEMBL7504106 0.79 USP30 (0.43) CTSSCTSKUSP30GPR119PIK3CD
SCHEMBL4716437 0.75 CTSK (0.65) CTSSCTSKGPR119CTSLCTSB
SCHEMBL6219597 0.74 GPR119 (0.45) CTSSCTSKUSP30GPR119TBK1
SCHEMBL4711970 0.73 CTSK (0.67) 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 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 CTSS 27/4885CTSK 52/4885USP30 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.