SCHEMBL444303

SCHEMBL444303

O=C1NC(=O)C(c2ccc(CN(C(=O)c3cnc4ccccc4c3)c3cccc(C(=O)O)c3)cc2)S1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
TRPM8 Q7Z2W7 9/20 0.43
GABRA1 P14867 1/20 0.43
MGAM O43451 1/20 0.42
CA2 P00918 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
STAT3 P40763 2/20 0.36
MAPK14 Q16539 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL445234 0.85 PTGES (0.48) CA2PTGESALOX5LTB4R2STAT3
SCHEMBL446224 0.84 GAA (0.53) CA2LTB4R2GAATSHRSTAT3
SCHEMBL446828 0.83 LTB4R2 (0.43) CA2PTGESALOX5LTB4R2GAA
SCHEMBL443207 0.80 HDAC1 (0.41) PTGESALOX5LTB4R2NPC1RAB9A
SCHEMBL443664 0.79 CA2 (0.35) CA2PTGESALOX5LTB4R2STAT3
SCHEMBL446132 0.79 LTB4R2 (0.45) CA2LTB4R2STAT3PPARGPPARD
SCHEMBL445112 0.77 CA2 (0.41) CA2PTGESALOX5LTB4R2STAT3
SCHEMBL444612 0.76 CA2 (0.46) CA2PTGESALOX5LTB4R2PPARG
SCHEMBL446471 0.76 LTB4R2 (0.58) LTB4R2
SCHEMBL446660 0.76 NR1H4 (0.45) STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
EP-2662453-A2 Detection and treatment of schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2013-11-13 EP disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
EP-2189537-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-05-26 EP 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-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CFTR 4704/4885TRPM8 3479/4885GABRA1 2421/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CFTR 4704/4885TRPM8 3479/4885GABRA1 2421/4885

“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.