SCHEMBL444232

SCHEMBL444232

O=C1NC(=O)C(c2ccc(CN(c3ccccc3)S(=O)(=O)c3cccc4ccccc34)cc2)S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
STAT3 P40763 1/20 0.39
PTPRS Q13332 1/20 0.39
ESR1 P03372 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL444121 0.82 MCL1 (0.49) CA2ESR1MEN1KMT2AALDH1A1
SCHEMBL443636 0.81 CA2 (0.54) CA2PTPN1MEN1KMT2AALDH1A1
SCHEMBL444342 0.77 LMNA (0.57) CA2MEN1KMT2AALDH1A1LMNA
SCHEMBL446076 0.76 CA2 (0.47) CA2ESR1ALDH1A1PPARGPPARD
SCHEMBL446371 0.74 ALOX5 (0.53) PTPN1MEN1KMT2AALDH1A1LMNA
SCHEMBL447265 0.72 ALDH1A1 (0.43) CA2MEN1KMT2AALDH1A1LMNA
SCHEMBL446213 0.72 ALDH1A1 (0.46) CA2PTPN2PTPN1MEN1KMT2A
SCHEMBL445377 0.72 PTGES (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL446347 0.71 CA2 (0.46) CA2ESR1MEN1KMT2AALDH1A1
SCHEMBL443448 0.68 GRM2 (0.40) CA2MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA2 2650/4885KEAP1 49/4885NFE2L2 745/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA2 2650/4885KEAP1 49/4885NFE2L2 745/4885

“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.