SCHEMBL14711314

SCHEMBL14711314

O=C(Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)oc2cnccc12)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
LPAR1 Q92633 2/20 0.43
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
ABCB4 P21439 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
POLB P06746 1/20 0.42
ROCK2 O75116 2/20 0.41
MGLL Q99685 2/20 0.39
P2RX7 Q99572 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
ENPP2 Q13822 1/20 0.37
LPAR3 Q9UBY5 1/20 0.36
MAP4K1 Q92918 1/20 0.36
NPC1 O15118 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
SCHEMBL14711313 0.92 TDO2 (0.46) TDO2LPAR1ABCC3ABCC4ABCB11
SCHEMBL14790500 0.89 TDO2 (0.47) TDO2POLBROCK2MGLLP2RX7
SCHEMBL14711281 0.84 TRPV1 (0.53) TDO2POLBROCK2P2RX7TRPV1
SCHEMBL16479918 0.83 LPAR1 (0.45) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14712112 0.83 LPAR1 (0.65) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14793820 0.81 POLB (0.43) TDO2LPAR1ABCC3ABCC4ABCB11
SCHEMBL14710485 0.81 ABCC3 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL16480048 0.80 CYP2C9 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14710413 0.80 ABCC3 (0.41) TDO2LPAR1ABCC3ABCC4ABCB11
SCHEMBL14710486 0.80 LPAR1 (0.45) LPAR1ABCC3ABCC4ABCB11CYP2C8

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 TDO2 4233/4885LPAR1 1/4885ABCC3 2708/4885

“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.