SCHEMBL629774

SCHEMBL629774

O=C1CN(c2cc3ccc(OCc4ccccc4)cc3cc2OCc2ccccc2)S(=O)(=O)N1.[KH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.51
ALOX5 P09917 1/20 0.44
MAOB P27338 6/20 0.42
MAOA P21397 5/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
MTNR1A P48039 1/20 0.40
KMT2A Q03164 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ACHE P22303 1/20 0.39

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
Potassium SCHEMBL629775 0.98 PTPN1 (0.51) PTPN1ALOX5MAOBMAOAMEN1
SCHEMBL2998204 0.93 PTPN1 (0.61) PTPN1ALOX5MAOBPTPN2
Potassium SCHEMBL2998210 0.91 PTPN1 (0.61) PTPN1ALOX5MAOBPTPN2
SCHEMBL3005189 0.89 PTPN1 (0.48) PTPN1MAOBMAOAPTPN2
SCHEMBL3006427 0.89 PTPN1 (0.46) PTPN1MAOBALDH1A1CYP1A2PTPN2
SCHEMBL629845 0.89 PTPN1 (0.46) PTPN1MAOBALDH1A1CYP1A2PTPN2
SCHEMBL629849 0.86 PTPN1 (0.44) PTPN1MAOBMAOAMEN1KMT2A
SCHEMBL630626 0.84 PTPN1 (0.51) PTPN1MAOBABL1
SCHEMBL3006552 0.84 PTPN1 (0.44) PTPN1MAOBALDH1A1CYP1A2PTPN2
SCHEMBL629551 0.83 PTPN1 (0.43) PTPN1MTNR1AALDH1A1PTPN2

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
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (1 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC PTPN1 23/4885ALOX5 215/4885MAOB 1091/4885

“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.