SCHEMBL708380

SCHEMBL708380

COc1cc(C(=O)c2nc3cc(-c4ccccc4C(=O)O)ccc3n2CCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.51
PPARG P37231 9/20 0.49
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX5AP P20292 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42

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
SCHEMBL1285053 0.93 LPAR1 (0.44) LPAR1PPARGNPSR1KDM4EPOLB
SCHEMBL709120 0.83 POLB (0.49) NPSR1KDM4EPOLBHDAC1ALDH1A1
SCHEMBL707130 0.82 PPARG (0.54) LPAR1PPARGKDM4EPOLB
SCHEMBL706447 0.75 LPAR1 (0.52) LPAR1PPARGKDM4EPOLBALDH1A1
SCHEMBL708371 0.75 POLB (0.54) KDM4EPOLBALDH1A1
SCHEMBL707824 0.73 LPAR1 (0.52) LPAR1PPARGAGTR1AGTR2
SCHEMBL707714 0.71 LPAR1 (0.51) LPAR1PPARGNPSR1KDM4EPOLB
SCHEMBL1617954 0.69 ERN1 (0.64) LPAR1KDM4EALDH1A1
SCHEMBL709347 0.69 LPAR1 (0.78) LPAR1
SCHEMBL704971 0.69 PPARG (0.48) LPAR1PPARGKDM4EPOLBALDH1A1

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 1/4885PPARG 163/4885NPSR1 11/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885PPARG 163/4885NPSR1 11/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885PPARG 163/4885NPSR1 11/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885PPARG 163/4885NPSR1 11/4885

“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.