SCHEMBL446575

SCHEMBL446575

CC1=NNC(=O)C1=C(c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C(=O)O)c2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA9 Q16790 8/20 0.43
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
UBE2I P63279 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CA12 O43570 3/20 0.40
PIM1 P11309 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL445807 0.91 CA2 (0.53) CA1CA2CA9ALDH1A1POLB
SCHEMBL5145369 0.75 PTPN1 (0.43) TDP1ALDH1A1POLBL3MBTL1KMT2A
SCHEMBL3758734 0.73 CDK2 (0.47) CA1CA2CA9TDP1ALDH1A1
SCHEMBL5189038 0.73 CDK2 (0.48) CA1CA2CA9TDP1ALDH1A1
SCHEMBL5188402 0.72 CDK2 (0.48) CA1CA2CA9TDP1ALDH1A1
SCHEMBL5143090 0.69 PIK3CG (0.48) TDP1ALDH1A1POLBL3MBTL1KMT2A
SCHEMBL5143187 0.69 CDK2 (0.47) CA1CA2CA9TDP1ALDH1A1
SCHEMBL3362606 0.69 PIM1 (0.66) TDP1ALDH1A1POLBL3MBTL1KMT2A
SCHEMBL3362602 0.69 PIM1 (0.66) TDP1ALDH1A1POLBL3MBTL1KMT2A
SCHEMBL31686383 0.68 NR4A1 (0.69) TDP1ALDH1A1POLBL3MBTL1KMT2A

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-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
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 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 (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-20070123577-A1 Inhibitor of protein modification products formation SERPINB6, PROC, PLPBP CA1 2422/4885CA2 2314/4885CA9 3778/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA1 1486/4885CA2 2650/4885CA9 2233/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA1 1486/4885CA2 2650/4885CA9 2233/4885

“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.