SCHEMBL1124292

SCHEMBL1124292

COc1ccccc1-c1ccc(N(Cl)C(=O)c2cscc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.46
LPAR1 Q92633 3/20 0.43
PTPN1 P18031 1/20 0.42
EIF4E P06730 2/20 0.41
GPR35 Q9HC97 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PDK1 Q15118 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL1124082 0.83 DHODH (0.51) DHODHLPAR1PTPN1EIF4EPPARG
SCHEMBL3924667 0.77 DHODH (0.55) DHODHLPAR1PPARGPPARAPDK1
SCHEMBL4386286 0.74 DHODH (0.43) DHODHLPAR1PPARGPPARASLC13A5
SCHEMBL4387207 0.74 OXTR (0.42) DHODHLPAR1PPARGPPARAPDK1
SCHEMBL1222758 0.69 RXRA (0.58) DHODHPPARGPPARAKDM4EALDH1A1
SCHEMBL5306769 0.68 HCAR2 (0.54) KDM4EHPGDSLC13A5
SCHEMBL3551053 0.68 HCAR2 (0.56) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15517040 0.68 GPR35 (0.57) DHODHGPR35HTTKDM4EALDH1A1
SCHEMBL10024254 0.66 DHODH (0.56) DHODHPTPN1EIF4EGPR35HTT
Benzoic Acid SCHEMBL8917895 0.66 RXRA (0.58) DHODHPPARGPPARAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP disclosed
EP-2283898-A1 Aromatic compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2011-02-16 EP disclosed
US-7365094-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-04-29 US disclosed
US-20070224672-A1 Method of Identifying Inhibitors of DHODH LEBAN JOHANN 2007-09-27 US disclosed
US-7247736-B2 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-07-24 US disclosed
US-20070027193-A1 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-02-01 US disclosed
EP-1581478-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2005-10-05 EP disclosed
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2004-09-30 US disclosed
WO-2004056747-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2004-07-08 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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 DHODH 1/4885LPAR1 4783/4885PTPN1 1923/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA DHODH 3023/4885LPAR1 770/4885PTPN1 741/4885

“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.