SCHEMBL14709242

SCHEMBL14709242

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)O[C@H](C)c4ccccc4)cc3)cc2)CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.74
ABCC3 O15438 1/20 0.74
ABCC4 O15439 1/20 0.74
ABCB11 O95342 1/20 0.74
CYP2C8 P10632 1/20 0.74
CYP2C9 P11712 1/20 0.74
ABCB4 P21439 1/20 0.74
ABCC2 Q92887 1/20 0.74
SLCO1B3 Q9NPD5 1/20 0.74
SLCO1B1 Q9Y6L6 1/20 0.74
LPAR3 Q9UBY5 8/20 0.64
LPAR2 Q9HBW0 2/20 0.50
HRH1 P35367 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.39
KCNA3 P22001 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8006 0.95 LPAR1 (0.82) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL8005 0.95 LPAR1 (0.82) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1325246 0.95 LPAR1 (0.82) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL342933 0.94 LPAR1 (0.78) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL342934 0.94 LPAR1 (0.78) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343677 0.94 LPAR1 (0.77) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343676 0.94 LPAR1 (0.77) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14709240 0.91 LPAR1 (0.90) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12973576 0.90 LPAR1 (0.74) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761466 0.90 LPAR1 (0.74) 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 LPAR1 1/4885ABCC3 2708/4885ABCC4 3043/4885

“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.