SCHEMBL14711561

SCHEMBL14711561

O=C(Nc1[nH]c(=O)oc1-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 0.42
ROCK2 O75116 2/20 0.41
LPAR1 Q92633 2/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
ENPP2 Q13822 2/20 0.40
NPC1 O15118 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
RAB9A P51151 1/20 0.39
ATM Q13315 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
SCHEMBL14710516 0.79 MGLL (0.45) MGLLROCK2LPAR1CYP2C9ENPP2
SCHEMBL14710446 0.78 MGLL (0.42) MGLLROCK2LPAR1ENPP2NPC1
SCHEMBL14711731 0.77 MGLL (0.43) MGLLROCK2LPAR1ABCC3ABCC4
SCHEMBL16480034 0.77 LPAR1 (0.46) MGLLROCK2LPAR1ABCC3ABCC4
SCHEMBL16479918 0.76 LPAR1 (0.45) MGLLROCK2LPAR1ABCC3ABCC4
SCHEMBL14710485 0.76 ABCC3 (0.43) MGLLROCK2LPAR1ABCC3ABCC4
SCHEMBL343594 0.76 LPAR1 (0.69) MGLLROCK2LPAR1ABCC3ABCC4
SCHEMBL16480048 0.76 CYP2C9 (0.42) MGLLROCK2LPAR1ABCC3ABCC4
SCHEMBL14710445 0.75 MGLL (0.45) MGLLROCK2LPAR1ABCC3ABCC4
SCHEMBL16479928 0.75 MGLL (0.45) MGLLROCK2LPAR1ABCC3ABCC4

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 5 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-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
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 102/4885ROCK2 1939/4885LPAR1 1/4885

“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.