SCHEMBL6540

SCHEMBL6540

CCOC(=O)[C@@H]1C[C@@H]1c1ccc(-c2ccc(-c3onc(C)c3[C@@H](O)COCc3ccccc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
GPR88 Q9GZN0 4/20 0.34
SLC18A2 Q05940 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP30 Q70CQ3 1/20 0.33
APP P05067 1/20 0.33
LPAR1 Q92633 1/20 0.33
FFAR1 O14842 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
SCHEMBL13719865 1.00 MAPT (0.35) MAPTPKMGPR88SLC18A2MEN1
SCHEMBL14654 1.00 MAPT (0.35) MAPTPKMGPR88SLC18A2MEN1
SCHEMBL6497 1.00 MAPT (0.35) MAPTPKMGPR88SLC18A2MEN1
SCHEMBL18597703 0.91 FFAR1 (0.41) APPLPAR1FFAR1
SCHEMBL6902 0.91 FFAR1 (0.41) APPLPAR1FFAR1
SCHEMBL7497 0.91 FFAR1 (0.41) APPLPAR1FFAR1
SCHEMBL13719402 0.91 FFAR1 (0.41) APPLPAR1FFAR1
SCHEMBL7100 0.91 FFAR1 (0.41) APPLPAR1FFAR1
SCHEMBL18597740 0.90 GPR88 (0.35) MAPTPKMGPR88SLC18A2MEN1
SCHEMBL7183 0.87 MMP2 (0.37) MAPTPKMGPR88SLC18A2USP30

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-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
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-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

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 MAPT 3775/4885PKM 1880/4885GPR88 72/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MAPT 3775/4885PKM 1880/4885GPR88 72/4885

“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.