SCHEMBL9915920

SCHEMBL9915920

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CXCR2 P25025 2/20 0.44
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CXCR1 P25024 1/20 0.41
MAPT P10636 2/20 0.40
KCNQ2 O43526 1/20 0.40
LPAR3 Q9UBY5 3/20 0.40
CHRM3 P20309 2/20 0.39
TACR1 P25103 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL15261885 1.00 LPAR1 (0.45) LPAR1CA12CA1CA2CA9
SCHEMBL9915929 0.88 LPAR1 (0.45) LPAR1CXCR2CXCR1MAPTLPAR3
SCHEMBL15261910 0.88 LPAR1 (0.45) LPAR1CXCR2CXCR1MAPTLPAR3
SCHEMBL9915918 0.81 LPAR1 (0.52) LPAR1HTTL3MBTL1MAPTKCNQ2
SCHEMBL12989240 0.81 LPAR1 (0.74) LPAR1LPAR3
SCHEMBL12989242 0.81 LPAR1 (0.74) LPAR1LPAR3
SCHEMBL14711587 0.76 LPAR1 (0.66) LPAR1HTTL3MBTL1MAPTKCNQ2
SCHEMBL9915915 0.76 LPAR1 (0.49) LPAR1LPAR3
SCHEMBL9900012 0.76 CHRM3 (0.48) CA12CA1CA2CA9CHRM3
Bicarbonate SCHEMBL17255775 0.75 LPAR1 (0.52) LPAR1HTTL3MBTL1LPAR3CHRM3

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
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
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 2/4885CA12 4235/4885CA1 4792/4885

“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.