SCHEMBL3704033

SCHEMBL3704033

CCOC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCOC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.36
CASP3 P42574 3/20 0.36
CASP9 P55211 3/20 0.36
CYCS P99999 3/20 0.36
CA2 P00918 12/20 0.35
CA1 P00915 11/20 0.35
CA12 O43570 7/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
CA7 P43166 1/20 0.33
CA4 P22748 5/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3696901 0.94 APAF1 (0.38) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3709359 0.91 APAF1 (0.36) APAF1CASP3CASP9CYCS
SCHEMBL3705123 0.90 GPBAR1 (0.37) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3702485 0.90 CA12 (0.37) APAF1CASP3CASP9CYCSCA2
SCHEMBL3702398 0.89 APAF1 (0.35) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3696385 0.89 PTGS2 (0.37) APAF1CASP3CASP9CYCSCA2
SCHEMBL3695657 0.87 GLA (0.40) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3700997 0.84 APAF1 (0.38) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3698185 0.83 MAPT (0.36) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3704029 0.83 APAF1 (0.54) APAF1CASP3CASP9CYCSCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS APAF1, API5, AIFM1 APAF1 1/4885CASP3 13/4885CASP9 15/4885

“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.