SCHEMBL3704035

SCHEMBL3704035

NS(=O)(=O)c1ccc(CCNC(=O)CC2C(=O)N(CCc3ccc(Cl)cc3Cl)CC(=O)N2CCc2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
APAF1 O14727 3/20 0.45
CASP3 P42574 3/20 0.45
CASP9 P55211 3/20 0.45
CYCS P99999 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5956277 0.93 APAF1 (0.48) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3695992 0.91 APAF1 (0.46) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3705638 0.91 APAF1 (0.51) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3703009 0.91 CA1 (0.56) CA1CA2CA5ACA7CA5B
SCHEMBL3698229 0.90 APAF1 (0.50) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3706918 0.89 APAF1 (0.49) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3709170 0.89 APAF1 (0.44) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3698197 0.88 HPGD (0.46) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3700865 0.88 APAF1 (0.49) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3707205 0.88 CA1 (0.53) CA1CA2CA5ACA7CA5B

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 7 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
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP 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 2622/4885CA5A 520/4885

“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.