SCHEMBL9915926

SCHEMBL9915926

C[C@@H](OC(=O)Nc1ncoc1-c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.52
LPAR3 Q9UBY5 4/20 0.52
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
ABCB4 P21439 1/20 0.45
ABCC2 Q92887 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
ALDH1A1 P00352 3/20 0.39
NAAA Q02083 1/20 0.39
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 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
SCHEMBL14711095 0.85 LPAR1 (0.49) LPAR1LPAR3KDM4E
SCHEMBL9899811 0.84 LPAR1 (0.67) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL9899815 0.84 LPAR1 (0.67) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14790487 0.83 LPAR1 (0.58) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14790488 0.83 LPAR1 (0.51) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14710758 0.82 LPAR1 (0.57) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL15008765 0.82 LPAR1 (0.44) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL15008718 0.82 LPAR1 (0.49) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL15008824 0.82 LPAR1 (0.49) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14711677 0.82 LPAR1 (0.47) LPAR1LPAR3ABCC3ABCC4ABCB11

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
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP 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-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 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-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 (2 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885LPAR3 5/4885ABCC3 2708/4885
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS LPAR2, LPAR1, LPAR4 LPAR1 2/4885LPAR3 6/4885ABCC3 2770/4885

“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.