SCHEMBL12989367

SCHEMBL12989367

C[C@@H](OC(=O)Nc1c(Br)cnn1C)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 16/20 0.72
LPAR3 Q9UBY5 10/20 0.58
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL12988949 1.00 LPAR1 (0.72) LPAR1LPAR3MEN1KMT2A
SCHEMBL23917462 0.88 LPAR1 (0.57) LPAR1LPAR3MEN1KMT2A
SCHEMBL16477201 0.86 LPAR1 (0.74) LPAR1LPAR3
SCHEMBL15897414 0.85 LPAR1 (0.72) LPAR1LPAR3
SCHEMBL13195363 0.85 LPAR1 (0.87) LPAR1LPAR3
SCHEMBL17083212 0.84 LPAR1 (1.00) LPAR1LPAR3
SCHEMBL12989271 0.83 LPAR1 (0.52) LPAR1LPAR3MEN1KMT2A
SCHEMBL30005304 0.83 LPAR1 (0.73) LPAR1LPAR3MEN1KMT2A
SCHEMBL12989052 0.83 LPAR1 (0.73) LPAR1LPAR3MEN1KMT2A
SCHEMBL15897422 0.82 LPAR1 (0.68) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428430-B2 Oxabicyclo acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 US disclosed
EP-3853232-B1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-01 EP disclosed
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-10-14 US disclosed
US-20150259295-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-09-17 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 WO disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
WO-2012138648-A1 COMPOSITIONS AND METHODS FOR MODULATING LPA RECEPTORS IRM LLC (BM) 2012-10-11 WO disclosed
WO-2012138648-A1 COMPOSITIONS AND METHODS FOR MODULATING LPA RECEPTORS IRM LLC (BM) 2012-10-11 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 (6 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885LPAR3 5/4885MEN1 1384/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885LPAR3 5/4885MEN1 1384/4885
US-12428430-B2 Oxabicyclo acids as LPA antagonists LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885MEN1 3637/4885
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885MEN1 3637/4885
US-20150259295-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885MEN1 4702/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885LPAR3 5/4885MEN1 1384/4885

“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.