SCHEMBL6695

SCHEMBL6695

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.67
ABCC3 O15438 1/20 0.67
ABCC4 O15439 1/20 0.67
ABCB11 O95342 1/20 0.67
CYP2C8 P10632 1/20 0.67
CYP2C9 P11712 1/20 0.67
ABCB4 P21439 1/20 0.67
ABCC2 Q92887 1/20 0.67
SLCO1B3 Q9NPD5 1/20 0.67
SLCO1B1 Q9Y6L6 1/20 0.67
LPAR3 Q9UBY5 5/20 0.46
LPAR2 Q9HBW0 2/20 0.45
MGLL Q99685 1/20 0.43
ROCK2 O75116 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL2636704 0.97 LPAR1 (0.64) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635823 0.96 LPAR1 (0.63) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761361 0.95 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635443 0.94 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636093 0.92 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636366 0.92 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7596 0.92 LPAR1 (0.57) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635732 0.91 LPAR1 (0.59) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761323 0.91 LPAR1 (0.56) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761388 0.91 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648726-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP claimed
WO-2012078805-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO claimed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP claimed
WO-2011159632-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO claimed
WO-2011159633-A1 INHALABLE FORMULATIONS OF LYSOPHOSPHATDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO claimed
WO-2011159635-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST FOR THE TREATMENT OF DERMAL CONDITIONS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO claimed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO claimed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO claimed
US-9987381-B2 Radioligands for imaging the LPA-1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-05 US disclosed
US-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-09-08 US disclosed
EP-3062827-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR Bristol-Myers Squibb Company (US) 2016-09-07 EP disclosed
WO-2015066456-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-07 WO disclosed
CN-103596566-A Polycyclic LPA1 antagonists and uses thereof AMIRA PHARMACEUTICALS INC 2014-02-19 CN disclosed
EP-2648726-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
WO-2011159635-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST FOR THE TREATMENT OF DERMAL CONDITIONS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011159632-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011159633-A1 INHALABLE FORMULATIONS OF LYSOPHOSPHATDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 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 (1 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-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR LPAR1, LPAR3, LPAR2 LPAR1 1/4885ABCC3 2753/4885ABCC4 3076/4885

“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.