SCHEMBL708137

SCHEMBL708137

COc1cc(C(=O)C(CCCc2ccccc2)Cc2ccc(Oc3ccccc3C(=O)O)cc2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.65
LPAR3 Q9UBY5 1/20 0.52
LPAR2 Q9HBW0 1/20 0.46
LPAR5 Q9H1C0 1/20 0.45
FKBP1A P62942 1/20 0.42
TUBB1 Q9H4B7 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41

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
SCHEMBL709264 0.94 LPAR1 (0.61) LPAR1LPAR3LPAR2LPAR5TUBB1
SCHEMBL968828 0.93 LPAR1 (0.58) LPAR1LPAR3LPAR2LPAR5FKBP1A
SCHEMBL708862 0.93 LPAR1 (0.71) LPAR1LPAR3LPAR2LPAR5
SCHEMBL968829 0.89 LPAR1 (0.60) LPAR1LPAR3LPAR2LPAR5FKBP1A
SCHEMBL709015 0.87 LPAR1 (0.53) LPAR1LPAR3TUBB1PPARALMNA
SCHEMBL707677 0.85 LPAR1 (0.68) LPAR1LPAR3LPAR2LPAR5
SCHEMBL708375 0.83 LPAR1 (0.84) LPAR1LPAR2FKBP1ATUBB1LMNA
SCHEMBL706188 0.83 LPAR1 (0.60) LPAR1LPAR3LPAR2LPAR5TUBB1
SCHEMBL971639 0.83 LPAR1 (0.61) LPAR1LPAR3LPAR2LPAR5
SCHEMBL704803 0.81 LPAR1 (0.62) LPAR1LMNAHTTSMN1; SMN2TDP1

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 13 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
EP-1695955-B1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO (JP) 2011-10-12 EP disclosed
US-7875745-B2 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4- methylphenyl)-3-hydroxylpropyl]-1H-pyrrol-3-yl}acetic acid; for urinary system disease selected from the group of prostatic hypertrophy, neurogenic bladder dysfunction disease, dysuria, pollakiuria, night urination and urodynia ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 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-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1695955-A1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-30 EP 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 (5 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 1/4885LPAR3 4/4885LPAR2 2/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885LPAR2 2/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885LPAR2 2/4885
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 LPAR1 2/4885LPAR3 4/4885LPAR2 1/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885LPAR2 2/4885

“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.