SCHEMBL4443447

SCHEMBL4443447

O=C1CN(c2ccc(C=Cc3ccccc3)cc2OCc2ccccc2)S(=O)(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.46
LCK P06239 1/20 0.43
APP P05067 7/20 0.40
KDM4E B2RXH2 2/20 0.39
GSK3B P49841 1/20 0.39
LMNA P02545 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL3917279 1.00 PTPN1 (0.46) PTPN1LCKAPPKDM4EGSK3B
SCHEMBL3918294 0.92 PTPN1 (0.43) PTPN1APPKDM4EGSK3BLMNA
SCHEMBL3918290 0.92 PTPN1 (0.43) PTPN1APPKDM4EGSK3BLMNA
SCHEMBL3918006 0.92 ALDH1A1 (0.45) PTPN1LCKAPPKDM4ELMNA
SCHEMBL3918002 0.92 ALDH1A1 (0.45) PTPN1LCKAPPKDM4ELMNA
SCHEMBL3919344 0.91 KDM4E (0.53) PTPN1APPKDM4ELMNAMEN1
SCHEMBL3919349 0.91 KDM4E (0.53) PTPN1APPKDM4ELMNAMEN1
SCHEMBL3916346 0.90 PTPN1 (0.45) PTPN1KDM4EGSK3BADAMTS5SIRT2
SCHEMBL3917297 0.90 PTPN1 (0.39) PTPN1LCKAPPKDM4EGSK3B
SCHEMBL4285775 0.90 PTPN1 (0.39) PTPN1LCKAPPKDM4EGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC PTPN1 21/4885LCK 36/4885APP 3032/4885

“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.