SCHEMBL4063451

SCHEMBL4063451

O=S1(=O)Nc2ncccc2N1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.39
PTPN1 P18031 1/20 0.36
LDHA P00338 1/20 0.36
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
AKT1 P31749 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
GRIA2 P42262 1/20 0.33
KAT2B Q92831 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
PDE3B Q13370 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
SCHEMBL22090127 0.75 SLC40A1 (0.38) SLC40A1ALDH1A1GRIA2KDM4E
SCHEMBL3596885 0.74 PTPN1 (0.41) PTPN1KDM4E
SCHEMBL4064417 0.70 CA12 (0.37) SLC40A1PTPN1ALDH1A1HTT
SCHEMBL4942982 0.69 HTT (0.41) KAT2BHTT
SCHEMBL11973746 0.68 SLC40A1 (0.51) SLC40A1SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL4943537 0.65 SMN1; SMN2 (0.38) CYP1A2SMN1; SMN2ALDH1A1KAT2BKDM4E
SCHEMBL21681936 0.64 POLB (0.40) AKT1
SCHEMBL4059578 0.64 NPSR1 (0.37) CYP1A2ALDH1A1AKT1LMNA
SCHEMBL4057197 0.64 ALDH1A1 (0.40) PTPN1CYP1A2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4065236 0.64 ALDH1A1 (0.37) PTPN1ALDH1A1

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-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC40A1 1824/4885PTPN1 2586/4885LDHA 1804/4885

“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.