SCHEMBL709573

SCHEMBL709573

COc1cc(C(=O)N(Cc2ccc(OCC(=O)O)cc2)C(C)CCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.58
LPAR2 Q9HBW0 2/20 0.58
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
BCHE P06276 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
G6PD P11413 1/20 0.42
CTSD P07339 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL709302 0.93 LPAR1 (0.69) LPAR1LPAR2BCHE
SCHEMBL708317 0.82 LPAR1 (0.77) LPAR1LPAR2L3MBTL1LMNAHTT
SCHEMBL709568 0.82 LPAR1 (0.85) LPAR1LPAR2
SCHEMBL709247 0.81 LPAR1 (0.85) LPAR1LPAR2
SCHEMBL708537 0.79 LPAR1 (0.61) LPAR1LPAR2L3MBTL1MAPK1ALDH1A1
SCHEMBL708900 0.79 LPAR1 (0.62) LPAR1LPAR2L3MBTL1ALDH1A1LMNA
SCHEMBL707544 0.75 LPAR1 (0.70) LPAR1LPAR2
SCHEMBL708247 0.75 LPAR1 (0.90) LPAR1LPAR2
SCHEMBL707330 0.74 LPAR1 (1.00) LPAR1LPAR2
SCHEMBL1284545 0.74 LPAR1 (0.58) LPAR1LPAR2L3MBTL1MAPK1BCHE

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 1/4885LPAR2 2/4885KMT2A 933/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885KMT2A 933/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885KMT2A 933/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885KMT2A 933/4885

“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.