SCHEMBL7059

SCHEMBL7059

CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4CC(F)(F)CCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.36
LPAR1 Q92633 2/20 0.34
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABCB4 P21439 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SLC6A9 P48067 1/20 0.33
HDAC1 Q13547 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7128 0.91 HSD11B1 (0.35) BRD4LPAR1ABCC3ABCC4ABCB11
SCHEMBL1782 0.86 KCNA3 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6685 0.85 ALDH1A1 (0.40) LPAR1L3MBTL1LMNARAB9AALDH1A1
SCHEMBL7246 0.84 GAA (0.41) GAABRD4LPAR1ABCC3ABCC4
SCHEMBL13830573 0.84 ALDH1A1 (0.33) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1761 0.83 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6591 0.82 GAA (0.42) GAABRD4LPAR1ABCC3ABCC4
SCHEMBL6730 0.80 LPAR1 (0.38) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7103 0.80 GAA (0.39) GAABRD4LPAR1ABCC3ABCC4
SCHEMBL7143 0.79 LPAR1 (0.41) GAABRD4LPAR1ABCC3ABCC4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (2 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 GAA 1192/4885BRD4 1128/4885LPAR1 1/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 GAA 1192/4885BRD4 1128/4885LPAR1 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.