SCHEMBL4870638

SCHEMBL4870638

CC(C)C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)Cn1c(-c2ccc(F)cc2)noc1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PPARD Q03181 5/20 0.42
PPARA Q07869 5/20 0.42
MEN1 O00255 2/20 0.41
GPR34 Q9UPC5 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
GRM5 P41594 1/20 0.40
GPR132 Q9UNW8 1/20 0.40

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
SCHEMBL4864784 0.95 KMT2A (0.50) CTSSCTSKCTSLKMT2ATSHR
SCHEMBL4870124 0.92 GPR132 (0.47) CTSKKMT2ATSHRALDH1A1MEN1
SCHEMBL4867859 0.89 KMT2A (0.52) CTSSCTSKCTSLKMT2ATSHR
SCHEMBL4863630 0.88 CTSK (0.45) CTSKKMT2ATSHRALDH1A1MEN1
SCHEMBL4871055 0.87 CTSK (0.46) CTSSCTSKCTSLKMT2APPARD
SCHEMBL4872595 0.86 GPR132 (0.51) CTSKKMT2ATSHRGPR132
SCHEMBL4867468 0.84 KMT2A (0.57) CTSSCTSKCTSLKMT2ATSHR
SCHEMBL14158092 0.83 CTSK (0.53) CTSSCTSKCTSL
SCHEMBL14158244 0.83 CTSK (0.49) CTSSCTSKCTSL
SCHEMBL4871196 0.79 GPR132 (0.48) CTSKGPR132

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 8 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-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
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 CTSS 4/4885CTSK 138/4885CTSL 32/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 CTSS 13/4885CTSK 396/4885CTSL 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.