SCHEMBL9915931

SCHEMBL9915931

CCOC(=O)CC1(c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
LIPG Q9Y5X9 13/20 0.43
LPL P06858 12/20 0.43
P4HB P07237 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
F11 P03951 1/20 0.35
MIF P14174 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL6059 0.96 GAA (0.49) GAALIPGLPLP4HBCA1
SCHEMBL16278515 0.87 GAA (0.45) GAALIPGLPLP4HBCA1
SCHEMBL14710585 0.84 DGAT1 (0.41) LIPGLPLP4HBCA1CA2
SCHEMBL9900125 0.81 OPRM1 (0.47) LIPGLPL
SCHEMBL14790249 0.79 LIPG (0.56) LIPGLPLCA1CA2CA9
SCHEMBL12989381 0.79 LIPG (0.50) LIPGLPLP4HBCA1CA2
SCHEMBL9900225 0.78 GAA (0.47) GAA
SCHEMBL15897466 0.77 ALDH1A1 (0.44) LIPGLPL
SCHEMBL16050222 0.76 LIPG (0.40) LIPGLPLP4HBCA1CA2
SCHEMBL1514 0.76 OPRM1 (0.50) LIPGLPL

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
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
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
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
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US 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 GAA 1973/4885LIPG 89/4885LPL 87/4885

“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.