SCHEMBL9915928

SCHEMBL9915928

CCOC(=O)C1(c2ccc(-c3ccc(-c4ocnc4NC(=O)O[C@H](C)c4ccccc4)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.56
ABCC3 O15438 1/20 0.56
ABCC4 O15439 1/20 0.56
ABCB11 O95342 1/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2C9 P11712 1/20 0.56
ABCB4 P21439 1/20 0.56
ABCC2 Q92887 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
HRH1 P35367 1/20 0.49
LPAR3 Q9UBY5 11/20 0.49
KCNA3 P22001 1/20 0.41
OPRM1 P35372 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
SCHEMBL15261629 1.00 LPAR1 (0.56) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14710758 0.91 LPAR1 (0.57) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL9899815 0.89 LPAR1 (0.67) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL9899811 0.89 LPAR1 (0.67) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14790487 0.88 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL9899860 0.83 KCNA3 (0.46) KCNA3OPRM1
SCHEMBL14790488 0.83 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL8005 0.83 LPAR1 (0.82) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1325246 0.83 LPAR1 (0.82) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL8006 0.83 LPAR1 (0.82) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 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-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS LPAR2, LPAR1, LPAR4 LPAR1 2/4885ABCC3 2770/4885ABCC4 2756/4885

“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.