SCHEMBL3700760

SCHEMBL3700760

CCOC(=O)CN(CCc1ccc(O)cc1)C(=O)CC1C(=O)N(CCc2cccs2)CC(=O)N1CCc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.40
CASP3 P42574 3/20 0.40
CASP9 P55211 3/20 0.40
CYCS P99999 3/20 0.40
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
RECQL P46063 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TNKS O95271 1/20 0.33
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL3701525 0.96 APAF1 (0.44) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3710594 0.95 MEN1 (0.42) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3699248 0.93 APAF1 (0.46) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3695250 0.92 APAF1 (0.46) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3707256 0.92 MEN1 (0.44) APAF1CASP3CASP9CYCSMEN1
SCHEMBL5956153 0.91 APAF1 (0.54) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3699199 0.90 APAF1 (0.47) APAF1CASP3CASP9CYCSMEN1
SCHEMBL5955934 0.90 CA1 (0.41) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3699396 0.90 APAF1 (0.38) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3807957 0.90 MEN1 (0.44) APAF1CASP3CASP9CYCSMEN1

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 8 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
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 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.