SCHEMBL351111

SCHEMBL351111

O=C(Nc1ccc2[nH]nnc2c1)c1[nH]nc2c1CCN(C(=O)OCc1ccc(C(F)(F)F)c(Cl)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.39
TRPV1 Q8NER1 7/20 0.38
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35
ENPP2 Q13822 7/20 0.35
ATXN2 Q99700 7/20 0.35

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
SCHEMBL351757 0.91 PDE5A (0.38) PTGDR2TRPV1ENPP2ATXN2
SCHEMBL349969 0.88 ENPP2 (0.42) TRPV1ENPP2ATXN2
SCHEMBL350135 0.87 ENPP2 (0.41) PTGDR2ENPP2ATXN2
SCHEMBL351272 0.87 ENPP2 (0.43) TRPV1ENPP2ATXN2
SCHEMBL351914 0.87 ENPP2 (0.47) PTGDR2ENPP2ATXN2
SCHEMBL351484 0.86 ENPP2 (0.37) PTGDR2ENPP2ATXN2
SCHEMBL351658 0.77 ENPP2 (0.42) PTGDR2TRPV1ENPP2ATXN2
SCHEMBL351769 0.73 PTGDR2 (0.46) PTGDR2TRPV1ENPP2ATXN2
SCHEMBL118772 0.70 ENPP2 (0.46) ENPP2ATXN2
SCHEMBL118506 0.70 ENPP2 (0.46) ENPP2ATXN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US claimed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US claimed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US claimed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US claimed
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 PTGDR2 1463/4885TRPV1 3023/4885FLT1 4043/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 PTGDR2 1463/4885TRPV1 3023/4885FLT1 4043/4885

“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.