SCHEMBL629591

SCHEMBL629591

O=C1CN(c2cc3cc(C4=CCCC4)ccc3cc2OCc2ccccc2)S(=O)(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.46
BRD4 O60885 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
SNRNP200 O75643 1/20 0.32
PTP4A3 O75365 2/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAT2A P31153 2/20 0.31
GSTP1 P09211 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL629774 0.83 PTPN1 (0.51) PTPN1MAOAMAOB
Potassium SCHEMBL629775 0.83 PTPN1 (0.51) PTPN1MAOAMAOB
SCHEMBL630626 0.83 PTPN1 (0.51) PTPN1MAOBCTSLCTSBPTP4A3
SCHEMBL3006427 0.82 PTPN1 (0.46) PTPN1MAOBSNRNP200PTP4A3
SCHEMBL3005189 0.82 PTPN1 (0.48) PTPN1BRD4MAOAMAOBSNRNP200
SCHEMBL629845 0.82 PTPN1 (0.46) PTPN1MAOBSNRNP200PTP4A3
SCHEMBL629669 0.81 PTPN1 (0.49) PTPN1
SCHEMBL631155 0.81 PTPN1 (0.51) PTPN1CTSLCTSBPTP4A3CYP19A1
Potassium SCHEMBL2998210 0.81 PTPN1 (0.61) PTPN1MAOBCTSLCTSBHTR1A
SCHEMBL2998204 0.81 PTPN1 (0.61) PTPN1MAOBCTSLCTSBHTR1A

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 3 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

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 23/4885BRD4 3125/4885MAOA 1695/4885

“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.