SCHEMBL9915918

SCHEMBL9915918

C[C@@H](OC(=O)Nc1ccccc1-c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.52
OPRM1 P35372 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.47
KCNQ2 O43526 1/20 0.47
LPAR3 Q9UBY5 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
CHRM3 P20309 3/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
KDM4E B2RXH2 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
SCHEMBL9915925 0.86 LPAR1 (0.52) LPAR1OPRM1MAPTLPAR3
SCHEMBL14711587 0.84 LPAR1 (0.66) LPAR1HTTL3MBTL1MAPTKCNQ2
Bicarbonate SCHEMBL17255775 0.82 LPAR1 (0.52) LPAR1HTTL3MBTL1LPAR3ALDH1A1
SCHEMBL9904178 0.81 LPAR1 (0.68) LPAR1LPAR3
SCHEMBL15261885 0.81 LPAR1 (0.45) LPAR1HTTL3MBTL1MAPTKCNQ2
SCHEMBL14711429 0.81 LPAR1 (0.68) LPAR1LPAR3
SCHEMBL9915920 0.81 LPAR1 (0.45) LPAR1HTTL3MBTL1MAPTKCNQ2
SCHEMBL6514305 0.79 CHRM3 (0.52) HTTL3MBTL1MAPTKCNQ2ALDH1A1
SCHEMBL12989462 0.77 LPAR1 (0.87) LPAR1LPAR3
SCHEMBL9915924 0.76 LPAR1 (0.48) LPAR1OPRM1HTTL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS 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 (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-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS LPAR2, LPAR1, LPAR4 LPAR1 2/4885OPRM1 1808/4885HTT 4707/4885

“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.