SCHEMBL9915929

SCHEMBL9915929

C[C@@H](OC(=O)Nc1cnccc1-c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.45
GSK3B P49841 10/20 0.41
GSK3A P49840 8/20 0.41
MAPT P10636 3/20 0.40
LPAR3 Q9UBY5 3/20 0.40
SLC22A12 Q96S37 1/20 0.40
CXCR2 P25025 2/20 0.40
METAP2 P50579 2/20 0.38
CXCR1 P25024 1/20 0.37

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
SCHEMBL15261910 1.00 LPAR1 (0.45) LPAR1GSK3BGSK3AMAPTLPAR3
SCHEMBL9915920 0.88 LPAR1 (0.45) LPAR1MAPTLPAR3CXCR2CXCR1
SCHEMBL15261885 0.88 LPAR1 (0.45) LPAR1MAPTLPAR3CXCR2CXCR1
SCHEMBL9915925 0.84 LPAR1 (0.52) LPAR1GSK3BGSK3AMAPTLPAR3
SCHEMBL9915915 0.83 LPAR1 (0.49) LPAR1LPAR3SLC22A12
SCHEMBL12989242 0.80 LPAR1 (0.74) LPAR1LPAR3
SCHEMBL12989240 0.80 LPAR1 (0.74) LPAR1LPAR3
SCHEMBL9899613 0.79 ROCK2 (0.43) GSK3BGSK3AMAPTSLC22A12
SCHEMBL9899954 0.77 LPAR1 (0.67) LPAR1LPAR3
SCHEMBL15261662 0.77 LPAR1 (0.67) LPAR1LPAR3

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-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
CN-103347510-B Lysophosphatidic acid receptor antagonists and their use in the treatment of fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2015-11-25 CN 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 2/4885GSK3B 1679/4885GSK3A 1612/4885

“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.