SCHEMBL3698518

SCHEMBL3698518

O=C(O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.38
MMP2 P08253 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
FFAR1 O14842 1/20 0.36
APAF1 O14727 3/20 0.36
CASP3 P42574 3/20 0.36
CASP9 P55211 3/20 0.36
CYCS P99999 3/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL3695489 0.88 APAF1 (0.38) ADAMTS5MMP2PPARGPPARAHDAC1
SCHEMBL3701084 0.86 APAF1 (0.44) HDAC1HDAC8HDAC6ITGB2ICAM1
SCHEMBL3701627 0.85 APAF1 (0.43) ADAMTS5MMP2PPARGPPARAHDAC1
SCHEMBL3702975 0.84 HPGD (0.44) ALDH1A1APAF1CASP3CASP9CYCS
SCHEMBL3701993 0.84 MAPT (0.47) ALDH1A1POLBTP53
SCHEMBL3693009 0.83 DRD3 (0.42) MMP2ALDH1A1
SCHEMBL3702422 0.81 GPBAR1 (0.35) HDAC1HDAC8HDAC6ALDH1A1ITGB2
SCHEMBL3700729 0.81 MAPT (0.40) PPARGPPARAHDAC1HDAC8HDAC6
SCHEMBL3697542 0.80 ITGB2 (0.40) HDAC1HDAC8HDAC6ALDH1A1ITGB2
SCHEMBL3701509 0.79 KDM4E (0.40) PPARGALDH1A1POLB

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 3 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
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

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 ADAMTS5 596/4885MMP2 529/4885PPARG 3337/4885

“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.