SCHEMBL18963

SCHEMBL18963

CS(=O)(=O)c1nccc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.49
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
SDHB P21912 4/20 0.49
RAB9A P51151 4/20 0.49
STAT3 P40763 3/20 0.49
STAT1 P42224 2/20 0.49
TLR9 Q9NR96 2/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 5/20 0.47
HPGD P15428 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 4/20 0.47
HSD17B10 Q99714 4/20 0.47
POLB P06746 2/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
MAPK1 P28482 2/20 0.47

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
Pyrimidine SCHEMBL5649751 0.92 NPSR1 (0.44) NPSR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL17590 0.83 KMO (0.59) NPSR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2410945 0.83 RAB9A (0.56) NPSR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL16538788 0.82 KCNH2 (0.53) NPSR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL28146826 0.82 NPC1 (0.45) NPSR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2415488 0.81 KDM4E (0.49) NPSR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL4071288 0.80 KMO (0.51) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL4447801 0.79 BPTF (0.54) NPSR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5381902 0.78 MAPK14 (0.53) NPSR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL7871659 0.78 SDHB (0.62) NPSR1LMNASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015028989-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-03-05 WO disclosed
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
CN-100349856-C Propionic acid derivatives and their use as hPPAR activators SMITHKLINE BEECHAM CORP (US) 2007-11-21 CN disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-20060074111-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
CN-1675168-A Propionic acid derivatives and their use as hPPARs activators SMITHKLINE BEECHAM CORP (US) 2005-09-28 CN disclosed
EP-1513795-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000762-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG NPSR1 1688/4885LMNA 3376/4885SMN1; SMN2 4773/4885
US-20060074111-A1 Chemical compounds HDAC3, HAT1, H1-3 NPSR1 1174/4885LMNA 3713/4885SMN1; SMN2 2260/4885

“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.