SCHEMBL3702485

SCHEMBL3702485

CCOC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.37
CA1 P00915 10/20 0.37
CA2 P00918 10/20 0.37
CA9 Q16790 3/20 0.37
APAF1 O14727 3/20 0.35
CASP3 P42574 3/20 0.35
CASP9 P55211 3/20 0.35
CYCS P99999 3/20 0.35
MAPT P10636 2/20 0.34
CA4 P22748 3/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3700838 0.92 APAF1 (0.36) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3704033 0.90 APAF1 (0.36) CA12CA1CA2CA9APAF1
SCHEMBL3706919 0.89 APAF1 (0.43) CA12CA1CA2CA9APAF1
SCHEMBL3698185 0.88 MAPT (0.36) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3705971 0.88 GLA (0.39) APAF1CASP3CASP9CYCSMAPT
SCHEMBL5955934 0.86 CA1 (0.41) CA12CA1CA2CA9APAF1
SCHEMBL3696385 0.86 PTGS2 (0.37) CA12CA1CA2CA9APAF1
SCHEMBL3693162 0.85 MAPT (0.37) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3697463 0.85 OPRM1 (0.43) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL3708029 0.84 MAPT (0.35) APAF1CASP3CASP9CYCSMAPT

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 CA12 4687/4885CA1 1810/4885CA2 2622/4885

“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.