SCHEMBL4064417

SCHEMBL4064417

O=S1(=O)Nc2cnccc2N1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FGFR1 P11362 1/20 0.36
PTPN1 P18031 1/20 0.35
HTT P42858 1/20 0.32
NAMPT P43490 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
DYRK1A Q13627 1/20 0.31
CYP11B2 P19099 1/20 0.31
GRM4 Q14833 1/20 0.30

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
SCHEMBL4942982 0.80 HTT (0.41) HTTCYP11B2
SCHEMBL3596885 0.80 PTPN1 (0.41) CA12CA1CA2CA9PTPN1
SCHEMBL4063463 0.72 SLC6A2 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL4057197 0.72 ALDH1A1 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL4065236 0.72 ALDH1A1 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL4065561 0.72 TDP1 (0.37) ALDH1A1
SCHEMBL4063451 0.70 SLC40A1 (0.39) ALDH1A1PTPN1HTTSLC40A1
SCHEMBL4055064 0.68 LMNA (0.39) ALDH1A1HTT
SCHEMBL3605818 0.68 SLC6A2 (0.38) ALDH1A1HTT
SCHEMBL11525997 0.66 KDM4E (0.55) CA12CA1CA2CA9ALDH1A1

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 CA12 3902/4885CA1 3794/4885CA2 2991/4885

“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.