SCHEMBL14710432

SCHEMBL14710432

O=C(Nc1sc2ccccc2c1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
MGLL Q99685 3/20 0.42
ENPP2 Q13822 2/20 0.40
ROCK2 O75116 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
POLB P06746 1/20 0.37
PTPN1 P18031 1/20 0.37
EPHX1 P07099 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
SCHEMBL14789057 0.86 FABP4 (0.40) FABP4FABP5MGLLENPP2ROCK2
SCHEMBL14793802 0.85 MGLL (0.43) MGLLENPP2ROCK2SMN1; SMN2NPC1
SCHEMBL14710567 0.81 LPAR1 (0.58) FABP4FABP5LPAR1LPAR3
SCHEMBL14710498 0.80 MGLL (0.46) FABP4FABP5MGLLENPP2ROCK2
SCHEMBL14710446 0.78 MGLL (0.42) MGLLENPP2ROCK2SMN1; SMN2NPC1
SCHEMBL14710430 0.78 MGLL (0.42) MGLLENPP2ROCK2SMN1; SMN2NPC1
SCHEMBL14711352 0.78 MGLL (0.44) MGLLENPP2ROCK2SMN1; SMN2LPAR1
SCHEMBL14710299 0.77 LPAR1 (0.44) MGLLENPP2ROCK2SMN1; SMN2ALDH1A1
SCHEMBL14710515 0.77 LPAR1 (0.49) FABP4FABP5LPAR1LPAR3
SCHEMBL14710618 0.76 MGLL (0.44) MGLLENPP2ROCK2LPAR1LPAR3

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 3 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-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 FABP4 934/4885FABP5 826/4885MGLL 102/4885

“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.