SCHEMBL4871890

SCHEMBL4871890

CC(C)C(NC(=O)OCc1ccccc1)C(=O)Cn1ncnn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
CASP6 P55212 2/20 0.48
CASP8 Q14790 2/20 0.48
CTSL P07711 4/20 0.48
CTSB P07858 3/20 0.48
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
CAPN1 P07384 2/20 0.48
ATM Q13315 1/20 0.46
CCR1 P32246 2/20 0.45
ELANE P08246 2/20 0.44
PRTN3 P24158 1/20 0.44
CASP9 P55211 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL4871025 0.83 TACR1 (0.51) CTSLCTSBCTSSCTSK
SCHEMBL14158029 0.82 CTSK (0.58) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL4873339 0.80 ATM (0.49) CASP3CASP1CASP7CASP6CASP8
SCHEMBL4872662 0.80 CTRB1 (0.54) CTSLCTSKELANE
SCHEMBL18839695 0.79 POLB (0.49) CA2
SCHEMBL8219127 0.77 CTSL (0.59) CASP3CASP1CASP7CASP6CASP8
SCHEMBL8219125 0.77 CTSL (0.59) CASP3CASP1CASP7CASP6CASP8
SCHEMBL1908598 0.77 CTSK (0.62) CASP3CASP1CASP7CASP6CASP8
SCHEMBL4861590 0.76 ACE (0.43) CTSLCTSBCTSSCTSK
SCHEMBL13008088 0.76 CTSL (0.58) CASP3CASP1CASP7CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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 CASP3 18/4885CASP1 20/4885CASP7 2/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 CASP3 17/4885CASP1 7/4885CASP7 2/4885

“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.