SCHEMBL5388

SCHEMBL5388

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3Nc3cccc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.47
LPAR3 Q9UBY5 2/20 0.44
LPAR2 Q9HBW0 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SYK P43405 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
GAA P10253 1/20 0.37

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
SCHEMBL5049 0.91 LPAR1 (0.42) LPAR1LPAR3LPAR2SYKKMT2A
SCHEMBL10083 0.89 LPAR1 (0.56) LPAR1LPAR3LPAR2KMT2AALDH1A1
SCHEMBL4392 0.84 LPAR1 (0.42) LPAR1LPAR3LPAR2SMN1; SMN2ALDH1A1
SCHEMBL4137 0.83 FFAR1 (0.46) LPAR1LPAR3LPAR2LMNAKDM4E
SCHEMBL13640 0.83 LPAR1 (0.39) LPAR1LPAR3LPAR2KMT2ATHRB
SCHEMBL4180 0.82 LPAR1 (0.49) LPAR1LPAR3SMN1; SMN2ALDH1A1LMNA
SCHEMBL4548 0.81 LPAR1 (0.46) LPAR1LPAR3SMN1; SMN2ALDH1A1LMNA
SCHEMBL9973 0.81 SYK (0.38) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL14790126 0.79 LPAR1 (0.50) LPAR1LPAR3LPAR2SMN1; SMN2KMT2A
SCHEMBL4316 0.79 MAPT (0.41) LPAR1LPAR3LPAR2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC 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 (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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885LPAR2 2/4885

“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.