SCHEMBL1124082

SCHEMBL1124082

COc1ccccc1-c1ccc(N(Cl)C(=O)c2ccsc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.51
RORC P51449 2/20 0.41
RORB Q92753 2/20 0.41
LPAR1 Q92633 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EIF4E P06730 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
FABP4 P15090 1/20 0.38
PDK1 Q15118 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
SCHEMBL1124292 0.83 DHODH (0.46) DHODHLPAR1SLC13A5PTPN1PPARG
SCHEMBL3924667 0.76 DHODH (0.55) DHODHLPAR1SLC13A5PPARGPPARA
SCHEMBL4387207 0.73 OXTR (0.42) DHODHLPAR1PPARGPPARAGRIA2
SCHEMBL4386286 0.73 DHODH (0.43) DHODHLPAR1SLC13A5PPARGPPARA
SCHEMBL31540409 0.73 DHODH (0.55) DHODHRORCRORBMEN1KMT2A
SCHEMBL1549482 0.73 DHODH (0.55) DHODHRORCRORBMEN1KMT2A
SCHEMBL1124231 0.70 DHODH (0.55) DHODHRORCRORBKMT2AFABP4
SCHEMBL7070868 0.69 DHODH (0.51) DHODHKMT2AEIF4E
SCHEMBL1222758 0.68 RXRA (0.58) DHODHSLC13A5PPARGPPARA
SCHEMBL1124079 0.68 DHODH (1.00) DHODHMEN1KMT2A

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
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
EP-1578741-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2005-09-28 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
WO-2004056797-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 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 1/4885RORC 2895/4885RORB 2700/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA DHODH 3023/4885RORC 32/4885RORB 58/4885

“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.