SCHEMBL8259382

SCHEMBL8259382

N=C(S)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
SRD5A2 P31213 1/20 0.47
GSK3B P49841 2/20 0.45
PTPN1 P18031 2/20 0.45
KIF11 P52732 2/20 0.43
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
MGLL Q99685 1/20 0.43
IDO1 P14902 2/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1005632 0.80 CES2 (0.58) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL3763045 0.78 CES2 (0.56) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL28331909 0.76 CES2 (0.54) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL2289144 0.76 CES2 (0.67) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL1119543 0.76 CES2 (0.54) CES2CES1SRD5A2IDO1HPGD
SCHEMBL5206631 0.76 CES2 (0.54) CES2CES1SRD5A2GSK3BPTPN1
Hydrochloric Acid SCHEMBL27491061 0.74 PRSS1 (0.54) CES2CES1IDO1HPGDKMT2A
Hydrochloric Acid SCHEMBL1549707 0.74 PRSS1 (0.54) CES2CES1IDO1HPGDKMT2A
SCHEMBL4088597 0.74 CES2 (0.64) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL349343 0.73 CES2 (0.70) CES2CES1SRD5A2GSK3BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022189856-A9 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES ABIONYX PHARMA SA (FR) 2022-10-13 WO disclosed
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2011-10-13 US disclosed
US-20100152255-A1 Organic Compounds DAMON ROBERT EDSON 2010-06-17 US disclosed
US-7700637-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-7652061-B2 N-acyl nitrogen heterocycles as ligands of peroxisome proliferator-activated receptors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
EP-1638963-B1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
US-7538135-B2 Benzenesulfonylamino compounds and pharmaceutical compositions containing these compounds NOVARTIS AG (CH) 2009-05-26 US disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
US-20080221336-A1 Pparalpha/Gamma Agonists and Processes of Preparing GARRETT CHRISTINE E 2008-09-11 US disclosed
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds COHEN DAVID SAUL 2008-06-05 US disclosed
US-20070299047-A1 Combination of Organic Compounds MAHER WILLIAM 2007-12-27 US disclosed
EP-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP disclosed
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW T 2007-06-14 US disclosed
US-7183304-B2 such as (R)-1-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-benzenesulfonyl}-azetidine-2-carboxylic acid, used as peroxisome proliferator-activated receptor agonists; hypoglycemic agents NOVARTIS AG (CH) 2007-02-27 US disclosed
US-20070043020-A1 Benzenesulfonylamino compounds and pharmaceutical compositions containing these compounds NOVARTIS AG (CH) 2007-02-22 US disclosed
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X NOVARTIS AG (CH) 2007-01-04 US disclosed
WO-2006084757-A2 COMBINATION OF CA/MG SALT OF VALSARTAN WITH AN ANTIDIABETIC AGENT NOVARTIS AG (CH) 2006-08-17 WO disclosed
WO-2006029349-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-03-16 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 (9 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-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD CES2 1539/4885CES1 159/4885SRD5A2 970/4885
US-20100152255-A1 Organic Compounds PPARG, FABP2, PPARA CES2 1269/4885CES1 206/4885SRD5A2 416/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD CES2 1539/4885CES1 159/4885SRD5A2 970/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD CES2 1539/4885CES1 159/4885SRD5A2 970/4885
US-20070043020-A1 Benzenesulfonylamino compounds and pharmaceutical compositions containing these compounds PPARG, PPARA, PPARD CES2 2565/4885CES1 251/4885SRD5A2 1394/4885
US-20070299047-A1 Combination of Organic Compounds GLP1R, PPARG, GCGR CES2 2139/4885CES1 118/4885SRD5A2 404/4885
US-20080221336-A1 Pparalpha/Gamma Agonists and Processes of Preparing PPARA, PPARG, PPARD CES2 2230/4885CES1 414/4885SRD5A2 150/4885
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X PPARG, GPR119, PPARA CES2 2646/4885CES1 289/4885SRD5A2 1032/4885
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds PPARA, PPARD, PPARG CES2 1866/4885CES1 1159/4885SRD5A2 1209/4885

“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.