SCHEMBL6797

SCHEMBL6797

Cc1noc(-c2ccc(-c3ccc(C4CC4C(=O)O)cc3)cc2)c1CC(F)(F)CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.41
FFAR4 Q5NUL3 4/20 0.38
LPAR1 Q92633 2/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.36
HTR5A P47898 1/20 0.36
EPHX2 P34913 1/20 0.36
SLC6A9 P48067 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL6798 1.00 FFAR1 (0.41) FFAR1FFAR4LPAR1SLCO1B1HTR5A
SCHEMBL6923 0.91 SLC6A9 (0.37) FFAR1LPAR1SLCO1B1HTR5ASLC6A9
SCHEMBL6922 0.91 SLC6A9 (0.37) FFAR1LPAR1SLCO1B1HTR5ASLC6A9
SCHEMBL6279 0.82 FFAR1 (0.43) FFAR1FFAR4LPAR1
SCHEMBL7091 0.82 FFAR1 (0.43) FFAR1FFAR4LPAR1
SCHEMBL6278 0.82 FFAR1 (0.43) FFAR1FFAR4LPAR1
SCHEMBL7528 0.82 LPAR1 (0.46) FFAR4LPAR1SLC6A9
SCHEMBL1761 0.80 LPAR1 (0.47) LPAR1SLCO1B1SLC6A9
SCHEMBL18597705 0.80 FFAR1 (0.42) FFAR1FFAR4LPAR1SLCO1B1SLC6A9
SCHEMBL6832 0.79 PTGS2 (0.42) LPAR1SLC6A9S1PR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (2 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 FFAR1 22/4885FFAR4 39/4885LPAR1 1/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 FFAR1 22/4885FFAR4 39/4885LPAR1 1/4885

“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.