SCHEMBL4065236

SCHEMBL4065236

O=S1(=O)Nc2cc(Br)ccc2N1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH2 P05091 2/20 0.33
ALDH3A1 P30838 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL4057197 0.81 ALDH1A1 (0.40) ALDH1A1PTPN1MEN1KMT2ACA12
SCHEMBL4063463 0.81 SLC6A2 (0.39) ALDH1A1PTPN1CA12CA1CA2
SCHEMBL4064812 0.80 MGLL (0.39) ALDH1A1L3MBTL1MEN1KMT2AMGLL
SCHEMBL3596885 0.80 PTPN1 (0.41) PTPN1CA12CA1CA2CA4
SCHEMBL4056951 0.72 CHRM1 (0.39) ALDH1A1L3MBTL1PTPN1MEN1KMT2A
SCHEMBL4064417 0.72 CA12 (0.37) ALDH1A1PTPN1CA12CA1CA2
SCHEMBL3605818 0.68 SLC6A2 (0.38) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL3608555 0.68 SLC6A2 (0.38)
SCHEMBL4055064 0.68 LMNA (0.39) ALDH1A1GAA
SCHEMBL4058855 0.68 SLC6A2 (0.41) ALDH1A1MGLLPOLBGAAIDO1

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 ALDH1A1 687/4885RXFP1 3453/4885L3MBTL1 4326/4885

“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.