SCHEMBL3606142

SCHEMBL3606142

COc1cccc(N2c3ccccc3NS2(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.44
SLC6A3 Q01959 2/20 0.43
SLC6A4 P31645 1/20 0.43
MGLL Q99685 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP1A2 P05177 1/20 0.40
NTRK1 P04629 1/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 1/20 0.39
NTRK2 Q16620 1/20 0.39
ALOX5 P09917 1/20 0.38
PMM2 O15305 1/20 0.38
MPI P34949 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 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
SCHEMBL4064047 0.85 HTT (0.42) SLC6A2MGLLMAPTKDM4EPOLB
SCHEMBL4059648 0.82 SLC6A2 (0.42) SLC6A2MGLLMAPTKMT2AADRB1
SCHEMBL4065264 0.82 NOTUM (0.40)
SCHEMBL4064146 0.81 MAPT (0.40) SLC6A4MGLLMAPTKDM4EKMT2A
SCHEMBL3596885 0.80 PTPN1 (0.41) SLC6A2SLC6A3SLC6A4KDM4E
SCHEMBL4057185 0.80 MAPT (0.41) MAPTKDM4EPOLBKMT2ACYP1A2
SCHEMBL4064812 0.79 MGLL (0.39) SLC6A3MGLLMAPTKDM4EPOLB
SCHEMBL4058855 0.79 SLC6A2 (0.41) SLC6A2MGLLMAPTPOLBALOX5
SCHEMBL4059777 0.78 HSP90AA1 (0.40) SLC6A2SLC6A3SLC6A4KDM4EPOLB
SCHEMBL4057026 0.77 ALDH1A1 (0.43) MAPTKMT2ACYP1A2ALOX5PMM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
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-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-08-14 US disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US 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 (4 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 1/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 1/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 1/4885
US-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, TPH1 SLC6A2 2/4885SLC6A3 7/4885SLC6A4 1/4885

“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.