SCHEMBL14710430

SCHEMBL14710430

O=C(Nc1oc2ccccc2c1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.42
MAOB P27338 1/20 0.41
PTPN1 P18031 4/20 0.40
ENPP2 Q13822 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
ATM Q13315 2/20 0.39
RAB9A P51151 2/20 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
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL14789055 0.86 MAOB (0.41) MGLLMAOBPTPN1ENPP2KDM4E
SCHEMBL14710494 0.81 LPAR1 (0.58)
SCHEMBL14710445 0.79 MGLL (0.45) MGLLENPP2NPC1ATMRAB9A
SCHEMBL14710432 0.78 FABP4 (0.44) MGLLPTPN1ENPP2NPC1ATM
SCHEMBL14710446 0.78 MGLL (0.42) MGLLENPP2NPC1ATMRAB9A
SCHEMBL14711282 0.78 LPAR1 (0.42) MGLLMAOBENPP2NPC1ATM
SCHEMBL14712091 0.77 MGLL (0.43) MGLLENPP2NPC1ATMRAB9A
SCHEMBL14710443 0.77 LPAR1 (0.49)
SCHEMBL14710491 0.76 MGLL (0.46) MGLLMAOBENPP2NPC1ATM
SCHEMBL14793802 0.75 MGLL (0.43) MGLLENPP2NPC1ATMRAB9A

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 102/4885MAOB 2997/4885PTPN1 1459/4885

“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.