SCHEMBL4387207

SCHEMBL4387207

COc1ccccc1-c1ccc(N(Cl)C(=O)C2=C(C(=O)O)C(O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.42
AVPR1A P37288 2/20 0.42
DHODH Q02127 5/20 0.41
LPAR1 Q92633 1/20 0.39
FFAR2 O15552 7/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
PDK1 Q15118 1/20 0.36

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
SCHEMBL4386286 0.91 DHODH (0.43) OXTRAVPR1ADHODHLPAR1FFAR2
SCHEMBL3924667 0.83 DHODH (0.55) OXTRAVPR1ADHODHLPAR1FFAR2
SCHEMBL1124292 0.74 DHODH (0.46) DHODHLPAR1PPARGPPARAPDK1
SCHEMBL1124082 0.73 DHODH (0.51) DHODHLPAR1PPARGPPARAGRIA2
SCHEMBL4387203 0.69 DHODH (0.59) DHODH
SCHEMBL19152488 0.67 HTR7 (0.46) DHODHPPARGPPARA
SCHEMBL1222758 0.67 RXRA (0.58) DHODHFFAR2PPARGPPARA
SCHEMBL4386279 0.65 DHODH (0.59) DHODH
SCHEMBL517774 0.65 DHODH (0.53) DHODH
SCHEMBL11849673 0.64 AKR1C3 (0.53) DHODHPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581477-B1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-02 EP 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
US-7071355-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-07-04 US disclosed
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2004-09-09 US 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 OXTR 4352/4885AVPR1A 4255/4885DHODH 1/4885
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents MSR1, PPARG, PPARA OXTR 1492/4885AVPR1A 3953/4885DHODH 2089/4885

“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.