SCHEMBL4871372

SCHEMBL4871372

CC(C)C[C@H](NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccccc1)C(=O)Cn1nc(CCc2ccccc2)oc1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.38
CTSK P43235 4/20 0.37
TACR1 P25103 2/20 0.37
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ADAM17 P78536 1/20 0.35
SSTR3 P32745 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
SCHEMBL4868071 1.00 CASP3 (0.38) CASP3CTSKTACR1TAOK1TAOK3
SCHEMBL14158013 0.92 CTSK (0.39) CASP3CTSKTACR1TAOK1TAOK3
SCHEMBL4864545 0.85 PSMB5 (0.47) CTSK
SCHEMBL4868592 0.84 CTSK (0.43) CTSKTAOK1TAOK3
SCHEMBL14597704 0.82 CCNA2 (0.39) CASP3CTSKTACR1TAOK1TAOK3
SCHEMBL4869933 0.80 KMT2A (0.41) CTSK
SCHEMBL14597588 0.79 CTSK (0.37) CASP3CTSKTACR1TAOK1TAOK3
SCHEMBL14597546 0.79 CTSK (0.38) CASP3CTSKTACR1TAOK1TAOK3
SCHEMBL14597592 0.79 CTSK (0.38) CASP3CTSKTACR1TAOK1TAOK3
SCHEMBL14597543 0.79 CTSK (0.38) CASP3CTSKTACR1TAOK1TAOK3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US claimed
US-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-07-28 US claimed
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-08-14 US claimed
EP-1254901-A1 NITROGEN-CONTAINING 5-MEMBERED CYCLIC COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-07-28 US disclosed
EP-1254901-A1 NITROGEN-CONTAINING 5-MEMBERED CYCLIC COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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 (2 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-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ACIN1, CASP7, CASP10 CASP3 18/4885CTSK 138/4885TACR1 2022/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 CASP3 17/4885CTSK 396/4885TACR1 2436/4885

“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.