SCHEMBL14710498

SCHEMBL14710498

O=C(Nc1sccc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.46
ENPP2 Q13822 3/20 0.43
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ROCK2 O75116 1/20 0.41
LPAR1 Q92633 3/20 0.41
LPAR3 Q9UBY5 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 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
SCHEMBL14789073 0.85 MGLL (0.41) MGLLENPP2FABP4FABP5HDAC3
SCHEMBL14711352 0.83 MGLL (0.44) MGLLENPP2HDAC3HDAC1HDAC2
SCHEMBL14710618 0.81 MGLL (0.44) MGLLENPP2ROCK2LPAR1LPAR3
SCHEMBL14710299 0.81 LPAR1 (0.44) MGLLENPP2ROCK2LPAR1LPAR3
SCHEMBL14710516 0.80 MGLL (0.45) MGLLENPP2ROCK2LPAR1LPAR3
SCHEMBL14710445 0.80 MGLL (0.45) MGLLENPP2ROCK2LPAR1LPAR3
SCHEMBL14710432 0.80 FABP4 (0.44) MGLLENPP2FABP4FABP5ROCK2
SCHEMBL14710511 0.79 LPAR1 (0.65) LPAR1LPAR3
SCHEMBL14710496 0.79 LPAR1 (0.65) LPAR1LPAR3
SCHEMBL16480048 0.79 CYP2C9 (0.42) MGLLENPP2HDAC3HDAC1HDAC2

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 MGLL 102/4885ENPP2 8/4885FABP4 934/4885

“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.