SCHEMBL708557

SCHEMBL708557

CCOc1cc(C(=O)N(CCCc2ccccc2)Cc2cccc(C(=O)O)c2)cc(OCC)c1OCC

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 16/20 0.56
TSHR P16473 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
LPAR2 Q9HBW0 2/20 0.52
LPAR5 Q9H1C0 1/20 0.49
LPAR3 Q9UBY5 1/20 0.48
PPARG P37231 1/20 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
SCHEMBL709792 0.91 LPAR1 (0.60) LPAR1TSHRLPAR2LPAR5LPAR3
SCHEMBL708091 0.85 LPAR1 (0.69) LPAR1LPAR2LPAR5LPAR3
SCHEMBL707256 0.83 LPAR1 (0.74) LPAR1LPAR2LPAR5LPAR3
SCHEMBL19438688 0.82 TSHR (0.57) LPAR1TSHRLPAR2PPARG
SCHEMBL705695 0.81 LPAR1 (0.81) LPAR1LPAR2LPAR5LPAR3
SCHEMBL707389 0.76 LPAR1 (0.64) LPAR1LPAR2LPAR5LPAR3
SCHEMBL708221 0.75 LPAR1 (0.76) LPAR1LPAR2LPAR5LPAR3
SCHEMBL709277 0.74 LPAR1 (0.75) LPAR1LPAR2
SCHEMBL1284925 0.74 LPAR1 (0.72) LPAR1LPAR2LPAR5
SCHEMBL706127 0.73 LPAR1 (0.82) LPAR1LPAR2LPAR5

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-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 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 (4 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885TSHR 1995/4885MRGPRX4 102/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885TSHR 1995/4885MRGPRX4 102/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885TSHR 1995/4885MRGPRX4 102/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885TSHR 1995/4885MRGPRX4 102/4885

“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.