SCHEMBL14712121

SCHEMBL14712121

C[C@@H](OC(=O)Nc1c(-c2ccc(Br)cc2)oc2cnccc12)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.51
LPAR3 Q9UBY5 5/20 0.51
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ABCB4 P21439 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
ROCK2 O75116 4/20 0.42
LRRK2 Q5S007 1/20 0.41
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
LPAR2 Q9HBW0 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
SCHEMBL15897195 0.88 LPAR1 (0.54) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14709111 0.87 LPAR1 (0.49) LPAR1LPAR3IDO1TDO2LPAR2
SCHEMBL14712112 0.86 LPAR1 (0.65) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14790499 0.85 LPAR1 (0.51) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14712113 0.84 LPAR1 (0.56) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL15897062 0.83 LPAR1 (0.41) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14790501 0.81 LPAR1 (0.52) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14711281 0.81 TRPV1 (0.53) ROCK2LRRK2IDO1TDO2TRPV1
SCHEMBL15897059 0.77 LPAR1 (0.54) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14709298 0.76 LPAR1 (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885LPAR3 5/4885ABCC3 2708/4885

“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.