SCHEMBL9939480

SCHEMBL9939480

Cc1onc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.72
LPAR3 Q9UBY5 7/20 0.62
LPAR2 Q9HBW0 2/20 0.57
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
ABCB4 P21439 1/20 0.52
ABCC2 Q92887 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
NR1H4 Q96RI1 2/20 0.43
PPARD Q03181 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.41
NTRK1 P04629 2/20 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
SCHEMBL11895960 1.00 LPAR1 (0.72) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL15280701 0.92 LPAR1 (0.62) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL11896401 0.92 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL11896400 0.92 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL11895499 0.91 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL11896136 0.89 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL11896133 0.89 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4031106 0.88 LPAR1 (0.67) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4032557 0.88 LPAR1 (0.67) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4028365 0.88 LPAR1 (0.67) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462128-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-09-21 EP claimed
US-8592402-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2013-11-26 US claimed
US-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2012-08-02 US claimed
US-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9556133-B2 Polycyclic LPA1 antagonist and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-09-26 US disclosed
WO-2012078805-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO 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 (3 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-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885LPAR2 2/4885
US-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885LPAR2 2/4885
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885LPAR2 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.