SCHEMBL14710445

SCHEMBL14710445

O=C(Nc1occc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
LPAR1 Q92633 5/20 0.42
LPAR3 Q9UBY5 2/20 0.42
ENPP2 Q13822 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
CYP2C9 P11712 2/20 0.40
ROCK2 O75116 1/20 0.40
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C8 P10632 1/20 0.40
ABCB4 P21439 1/20 0.40
ABCC2 Q92887 1/20 0.40

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
SCHEMBL14789066 0.85 MGLL (0.40) MGLLENPP2NPC1RAB9AALDH1A1
SCHEMBL14712091 0.82 MGLL (0.43) MGLLLPAR1LPAR3ENPP2NPC1
SCHEMBL15008952 0.80 LPAR1 (0.65) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL14710447 0.80 LPAR1 (0.65) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL14710498 0.80 MGLL (0.46) MGLLLPAR1LPAR3ENPP2NPC1
SCHEMBL14710516 0.79 MGLL (0.45) MGLLLPAR1LPAR3ENPP2NPC1
SCHEMBL14710430 0.79 MGLL (0.42) MGLLENPP2NPC1RAB9AALDH1A1
SCHEMBL16479918 0.79 LPAR1 (0.45) MGLLLPAR1LPAR3ENPP2NPC1
SCHEMBL14711282 0.78 LPAR1 (0.42) MGLLLPAR1LPAR3ENPP2NPC1
SCHEMBL14711731 0.78 MGLL (0.43) MGLLLPAR1LPAR3ENPP2NPC1

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 102/4885LPAR1 1/4885LPAR3 5/4885

“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.