SCHEMBL3697184

SCHEMBL3697184

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.41
CA2 P00918 14/20 0.41
CA12 O43570 13/20 0.41
CA9 Q16790 1/20 0.41
APAF1 O14727 3/20 0.37
CASP3 P42574 3/20 0.37
CASP9 P55211 3/20 0.37
CYCS P99999 3/20 0.37
CA4 P22748 5/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5955934 0.96 CA1 (0.41) CA1CA2CA12CA9APAF1
SCHEMBL3710681 0.93 CA12 (0.41) CA1CA2CA12CA9APAF1
SCHEMBL3709378 0.93 ALDH1A1 (0.42) CA1CA2CA12CA9APAF1
SCHEMBL3706919 0.92 APAF1 (0.43) CA1CA2CA12CA9APAF1
SCHEMBL3706883 0.90 APAF1 (0.43) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3697619 0.90 MEN1 (0.43) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3699253 0.89 APAF1 (0.35) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3694614 0.88 TRPM8 (0.40) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3702484 0.88 APAF1 (0.53) CA1CA2CA12CA9APAF1
SCHEMBL3700442 0.87 APAF1 (0.40) APAF1CASP3CASP9CYCSALDH1A1

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 6 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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
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
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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 CA1 1810/4885CA2 2622/4885CA12 4687/4885

“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.