SCHEMBL11959611

SCHEMBL11959611

COC(=O)[C@H](CSSc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
GSTP1 P09211 1/20 0.52
GSTM2 P28161 1/20 0.52
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP13 P45452 1/20 0.39
HPGD P15428 2/20 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
SCHEMBL19869036 0.84 ALDH1A1 (0.54) PPARGPPARAGSTP1GSTM2MAPT
SCHEMBL29740048 0.84 NFKB1 (0.52) PPARGPPARAGSTP1GSTM2MAPT
SCHEMBL3869417 0.83 PPARG (0.74) PPARGPPARAGSTP1GSTM2MAPT
SCHEMBL3319460 0.81 PPARG (0.58) PPARGPPARAGSTP1GSTM2ITGA4
SCHEMBL2728823 0.81 PPARG (0.58) PPARGPPARAGSTP1GSTM2ITGA4
SCHEMBL19212613 0.81 PPARG (0.58) PPARGPPARAGSTP1GSTM2ITGA4
SCHEMBL14552051 0.77 PPARG (0.54) PPARGPPARAGSTP1GSTM2ITGA4
SCHEMBL25003377 0.77 CYP1A2 (0.55) PPARGPPARAGSTP1GSTM2MAPT
SCHEMBL9679571 0.77 CYP1A2 (0.55) PPARGPPARAGSTP1GSTM2MAPT
SCHEMBL20531111 0.77 CYP1A2 (0.55) PPARGPPARAGSTP1GSTM2MAPT

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-8236945-B2 Process for preparing disulfides and thiosulphinates and compounds prepared Universite Joseph Fourier (Grenoble1) (FR) 2012-08-07 US disclosed
US-8236945-B2 Process for preparing disulfides and thiosulphinates and compounds prepared Universite Joseph Fourier (Grenoble1) (FR) 2012-08-07 US disclosed
US-20100075917-A1 THIONUCLEOSIDES AND PHARMACEUTICAL APPLICATIONS UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2010-03-25 US disclosed
US-20100075917-A1 THIONUCLEOSIDES AND PHARMACEUTICAL APPLICATIONS UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2010-03-25 US disclosed
US-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2009-10-22 US disclosed
US-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2009-10-22 US disclosed
WO-2008059130-A1 THIONUCLEOSIDES AND PHARMACEUTICAL APPLICATIONS UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2008-05-22 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 (2 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-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED TST, STS, MSR1 PPARG 1621/4885PPARA 3045/4885GSTP1 846/4885
US-20100075917-A1 THIONUCLEOSIDES AND PHARMACEUTICAL APPLICATIONS TYMP, PNP, NSUN2 PPARG 2465/4885PPARA 3105/4885GSTP1 1653/4885

“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.