SCHEMBL9901072

SCHEMBL9901072

OC(CCCc1ccccc1)c1ccsc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.44
PLA2G4A P47712 1/20 0.38
GRIK1 P39086 1/20 0.37
CES1 P23141 1/20 0.37
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 1/20 0.36
TRPA1 O75762 1/20 0.36
MMP8 P22894 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL9915910 0.78 LTB4R (0.53) LTB4RPLA2G4AGRIK1CES1SLC6A3
SCHEMBL9915916 0.77 NLRP3 (0.42) GRIK1SLC6A3TRPA1MMP8HDAC3
SCHEMBL9915921 0.75 GRIK1 (0.40) LTB4RGRIK1SLC6A3TRPA1MMP8
SCHEMBL12913192 0.71 LTB4R (0.51) LTB4RPLA2G4ASLC6A3SLC6A4HDAC1
SCHEMBL9900014 0.71 HPGD (0.41) CES1TRPA1
SCHEMBL5610385 0.70 HDAC3 (0.52) GRIK1SLC6A3TRPA1MMP8HDAC3
SCHEMBL4575395 0.70 RIPK1 (0.52) GRIK1SLC6A3SLC6A4HDAC3HDAC1
SCHEMBL9915930 0.70 KDM6B (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9899639 0.70 KDM6B (0.40) MAPK14
SCHEMBL5833581 0.69 TRPA1 (0.56) GRIK1SLC6A3TRPA1HDAC3HDAC1

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 11 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
EP-2648714-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 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
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 LTB4R 13/4885PLA2G4A 38/4885GRIK1 927/4885

“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.