SCHEMBL14710429

SCHEMBL14710429

O=C(NC1=C(c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c2ccccc2C1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
ENPP2 Q13822 3/20 0.41
ROCK2 O75116 2/20 0.39
CASP3 P42574 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
POLB P06746 1/20 0.37
NAAA Q02083 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
SCHEMBL14789053 0.85 MGLL (0.39) MGLLENPP2ROCK2CASP3NPC1
SCHEMBL14710440 0.80 LPAR1 (0.59) LPAR1LPAR3
SCHEMBL14710491 0.78 MGLL (0.46) MGLLENPP2ROCK2NPC1RAB9A
SCHEMBL16479928 0.78 MGLL (0.45) MGLLENPP2ROCK2NPC1RAB9A
SCHEMBL14710498 0.76 MGLL (0.46) MGLLENPP2ROCK2NPC1RAB9A
SCHEMBL14710516 0.76 MGLL (0.45) MGLLENPP2ROCK2CASP3NPC1
SCHEMBL14710445 0.76 MGLL (0.45) MGLLENPP2ROCK2NPC1RAB9A
SCHEMBL16479921 0.73 MGLL (0.45) MGLLENPP2ROCK2NPC1RAB9A
SCHEMBL16480043 0.73 MGLL (0.40) MGLLENPP2NPC1RAB9ASMN1; SMN2
SCHEMBL14711352 0.73 MGLL (0.44) MGLLENPP2ROCK2SMN1; SMN2LPAR1

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 8/4885ROCK2 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.