SCHEMBL14710464

SCHEMBL14710464

CC(OC(=O)Nc1cnoc1-c1ccc2c(c1)OCc1cc(C3(C(=O)O)CC3)ccc1-2)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.52
LPAR3 Q9UBY5 4/20 0.52
ROCK2 O75116 8/20 0.42
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
LPAR2 Q9HBW0 1/20 0.39

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
SCHEMBL14710657 0.91 LPAR1 (0.55) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14710401 0.91 LPAR1 (0.51) LPAR1LPAR3ROCK2ABCC3ABCC4
SCHEMBL14710735 0.87 LPAR1 (0.58) LPAR1LPAR3ROCK2ABCC3ABCC4
SCHEMBL14711089 0.87 LPAR1 (0.51) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14788900 0.86 LPAR1 (0.61) LPAR1LPAR3ROCK2LPAR2
SCHEMBL14710042 0.84 LPAR1 (0.46) LPAR1LPAR3ROCK2ABCC3ABCC4
SCHEMBL14710479 0.84 LPAR1 (0.56) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14710717 0.83 LPAR1 (0.56) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14711082 0.82 LPAR1 (0.53) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14710379 0.82 LPAR1 (0.53) 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 5/4885ROCK2 1939/4885

“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.