SCHEMBL14710431

SCHEMBL14710431

CC(OC(=O)Nc1snnc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.66
LPAR3 Q9UBY5 8/20 0.66
LPAR2 Q9HBW0 1/20 0.44
ABCC4 O15439 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HRH1 P35367 1/20 0.39
USP36 Q9P275 1/20 0.38
ABCC3 O15438 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB4 P21439 1/20 0.38
ABCC2 Q92887 1/20 0.38

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
SCHEMBL14788928 0.88 LPAR1 (0.60) LPAR1LPAR3LPAR2USP36
SCHEMBL14711113 0.84 LPAR1 (0.64) LPAR1LPAR3LPAR2ABCC4GAA
SCHEMBL14711341 0.82 LPAR1 (0.65) LPAR1LPAR3LPAR2ABCC4GAA
SCHEMBL14790546 0.81 LPAR1 (0.68) LPAR1LPAR3ABCC4HRH1ABCC3
SCHEMBL14711601 0.81 LPAR1 (0.68) LPAR1LPAR3ABCC4HRH1ABCC3
SCHEMBL14711343 0.81 LPAR1 (0.64) LPAR1LPAR3LPAR2ABCC4GAA
SCHEMBL14711597 0.80 LPAR1 (0.63) LPAR1LPAR3LPAR2ABCC4GAA
SCHEMBL14711657 0.80 LPAR1 (0.58) LPAR1LPAR3ABCC4HRH1ABCC3
SCHEMBL16701163 0.80 LPAR1 (1.00) LPAR1LPAR3LPAR2HRH1
SCHEMBL14711615 0.80 LPAR1 (1.00) LPAR1LPAR3LPAR2HRH1

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 5/4885LPAR2 2/4885

“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.