SCHEMBL8279348

SCHEMBL8279348

CSc1sc(C(C)=O)c2c1C(=O)CCC2

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.78
ALDH1A1 P00352 2/20 0.78
POLB P06746 1/20 0.78
RXFP1 Q9HBX9 1/20 0.78
NPSR1 Q6W5P4 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
LRRK2 Q5S007 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
ADORA2A P29274 1/20 0.44
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
CCNC P24863 4/20 0.39
CDK8 P49336 4/20 0.39
CDK19 Q9BWU1 4/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL1060812 0.88 KDM4E (1.00) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL1857463 0.80 NPSR1 (1.00) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7464487 0.79 KDM4E (0.65) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7244568 0.77 NPSR1 (0.95) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7452104 0.76 NPSR1 (0.68) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL4440786 0.76 LRRK2 (0.51) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL15364318 0.76 KDM4E (0.50) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL6799646 0.76 KDM4E (0.60) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL25625612 0.73 ALDH1A1 (0.57) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7464492 0.73 ALDH1A1 (0.57) KDM4EALDH1A1POLBRXFP1NPSR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181588-A1 Compounds and Compositions for Treating Fibrosis UNIV YALE (US) 2023-06-15 US disclosed
EP-2680695-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY Merck Sharp & Dohme Corp. (US) 2014-01-08 EP disclosed
WO-2012118679-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2012-09-07 WO disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
EP-1214292-B1 TYROSINE DERIVATIVES GENENTECH INC (US) 2007-06-13 EP disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 WO 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 (3 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 KDM4E 227/4885ALDH1A1 401/4885POLB 4652/4885
US-20230181588-A1 Compounds and Compositions for Treating Fibrosis DUSP5, DUSP15, DUSP26 KDM4E 349/4885ALDH1A1 1636/4885POLB 3997/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B KDM4E 2616/4885ALDH1A1 1424/4885POLB 4132/4885

“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.