SCHEMBL4871055

SCHEMBL4871055

CC(C)C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)Cn1c(-c2ccccn2)noc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.46
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
GPR132 Q9UNW8 2/20 0.42
KMT2A Q03164 1/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
ACE P12821 1/20 0.39
GABRA5 P31644 1/20 0.39
TP53 P04637 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
CACNA1B Q00975 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
SCHEMBL4871196 0.92 GPR132 (0.48) CTSKGPR132
SCHEMBL4864784 0.91 KMT2A (0.50) CTSKCTSSCTSLGPR132KMT2A
SCHEMBL4868373 0.91 KMT2A (0.45) CTSKCTSSCTSLKMT2AGABRA5
SCHEMBL4864722 0.87 SGMS2 (0.45) CTSKKMT2ACASP1CASP3CASP7
SCHEMBL4870638 0.87 CTSS (0.47) CTSKCTSSCTSLGPR132KMT2A
SCHEMBL4872595 0.84 GPR132 (0.51) CTSKGPR132KMT2A
SCHEMBL14158243 0.83 CTSK (0.49) CTSKCTSSCTSL
SCHEMBL4867468 0.81 KMT2A (0.57) CTSKCTSSCTSLKMT2A
SCHEMBL4870124 0.80 GPR132 (0.47) CTSKGPR132KMT2A
SCHEMBL14158219 0.78 CASP1 (0.44) KMT2ACASP1CASP3CASP7CASP6

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-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
US-6900207-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-31 US disclosed
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 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 CTSK 138/4885CTSS 4/4885CTSL 32/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 CTSK 396/4885CTSS 13/4885CTSL 55/4885

“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.