SCHEMBL13438

SCHEMBL13438

COC(=O)c1c(C)noc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.69
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.48
LPAR1 Q92633 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
TRPA1 O75762 1/20 0.45
DHODH Q02127 1/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43

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
SCHEMBL16502243 0.97 PTGS1 (0.73) PTGS1HTTSMN1; SMN2LPAR1LPAR3
SCHEMBL14789793 0.90 HTT (0.57) PTGS1HTTSMN1; SMN2LMNAMAPT
SCHEMBL29908046 0.87 HTT (0.57) PTGS1HTTLMNAMAPTKDM4E
SCHEMBL13615432 0.85 LMNA (0.57) PTGS1HTTSMN1; SMN2LMNAMAPT
SCHEMBL1883 0.85 RAB9A (0.57) PTGS1HTTSMN1; SMN2LMNAMAPT
SCHEMBL13615437 0.85 MAPT (0.57) PTGS1HTTSMN1; SMN2LMNAMAPT
SCHEMBL17736161 0.85 ALDH1A1 (0.56) PTGS1HTTMAPTKDM4EALDH1A1
SCHEMBL13508 0.84 PTGS1 (0.51) PTGS1SMN1; SMN2LPAR1LPAR3MAPT
SCHEMBL4035250 0.83 HTT (0.57) PTGS1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL4031918 0.82 ALDH1A1 (0.65) PTGS1SMN1; SMN2LMNAMAPTKDM4E

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 8 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-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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 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
WO-2011041462-A2 POLYCYCLIC 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 (3 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 PTGS1 922/4885HTT 2926/4885SMN1; SMN2 4422/4885
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 PTGS1 913/4885HTT 2653/4885SMN1; SMN2 3852/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 PTGS1 913/4885HTT 2653/4885SMN1; SMN2 3852/4885

“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.