SCHEMBL2289114

SCHEMBL2289114

CCOC(=O)Cc1cccc(-c2ccc(-c3onc(C)c3NC(=O)O[C@H](C)c3ccccc3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.70
LPAR3 Q9UBY5 7/20 0.69
ABCC3 O15438 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCB11 O95342 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2C9 P11712 1/20 0.60
ABCB4 P21439 1/20 0.60
ABCC2 Q92887 1/20 0.60
SLCO1B3 Q9NPD5 1/20 0.60
SLCO1B1 Q9Y6L6 1/20 0.60
LPAR2 Q9HBW0 2/20 0.58
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 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
SCHEMBL2289122 1.00 LPAR1 (0.70) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2292246 0.92 LPAR1 (0.82) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2293657 0.92 LPAR1 (0.82) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2292240 0.92 LPAR1 (0.82) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2289179 0.91 LPAR1 (0.84) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2289184 0.91 LPAR1 (0.84) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2291710 0.89 LPAR1 (0.72) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2293644 0.87 LPAR1 (0.69) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2293645 0.87 LPAR1 (0.69) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2288197 0.86 LPAR1 (0.68) LPAR1LPAR3ABCC3ABCC4ABCB11

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-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 EP disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-8048902-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC., (US) 2011-08-11 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 US 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-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ABCC3 3203/4885
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ABCC3 3203/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ABCC3 3203/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ABCC3 3203/4885

“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.