SCHEMBL451605

SCHEMBL451605

C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.53
MC4R P32245 2/20 0.42
HSD17B10 Q99714 1/20 0.42
IL6ST P40189 1/20 0.41
CACNA1G O43497 3/20 0.41
MAOB P27338 1/20 0.40
NAAA Q02083 1/20 0.39
IDH1 O75874 5/20 0.39
HDAC1 Q13547 2/20 0.38
AVPR1A P37288 1/20 0.37

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
SCHEMBL14503309 0.93 PPARA (0.58) PPARAHSD17B10IL6STNAAAIDH1
SCHEMBL3003739 0.90 PPARA (0.54) PPARAHSD17B10IL6STCACNA1GNAAA
SCHEMBL12035897 0.90 PPARA (0.54) PPARAHSD17B10IL6STNAAAIDH1
SCHEMBL2431628 0.90 PPARA (0.54) PPARAHSD17B10IL6STCACNA1GNAAA
SCHEMBL15080497 0.90 PPARA (0.54) PPARAHSD17B10IL6STNAAAIDH1
SCHEMBL2431625 0.90 PPARA (0.54) PPARAHSD17B10IL6STCACNA1GNAAA
SCHEMBL13558497 0.90 PPARA (0.54) PPARAHSD17B10IL6STNAAAIDH1
SCHEMBL12035893 0.90 PPARA (0.54) PPARAHSD17B10IL6STNAAAIDH1
SCHEMBL3004767 0.85 PPARA (0.51) PPARAMAOBNAAA
SCHEMBL3004771 0.85 PPARA (0.51) PPARAMAOBNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA PPARA 1804/4885MC4R 1978/4885HSD17B10 3356/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 PPARA 1684/4885MC4R 1876/4885HSD17B10 3331/4885

“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.