SCHEMBL3605818

SCHEMBL3605818

O=S1(=O)Nc2ccccc2N1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
TP53 P04637 2/20 0.37
OPRL1 P41146 8/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
OPRM1 P35372 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
CASP1 P29466 2/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP7 P55210 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MITF O75030 1/20 0.32

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
SCHEMBL3596885 0.86 PTPN1 (0.41) SLC6A2OPRL1KDM4EOPRM1RECQL
SCHEMBL4064146 0.84 MAPT (0.40) TP53OPRL1MEN1KMT2AKDM4E
SCHEMBL3608555 0.83 SLC6A2 (0.38) SLC6A2OPRL1KDM4EOPRM1RECQL
SCHEMBL4055064 0.83 LMNA (0.39) SLC6A2TP53OPRL1KDM4EALDH1A1
SCHEMBL4056951 0.81 CHRM1 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4064047 0.80 HTT (0.42) SLC6A2TP53MEN1KMT2AKDM4E
SCHEMBL3607587 0.80 SLC6A2 (0.41) SLC6A2OPRL1MEN1KMT2AKDM4E
SCHEMBL3598970 0.79 MGLL (0.39) SLC6A2OPRL1KDM4EALDH1A1OPRM1
SCHEMBL4059777 0.78 HSP90AA1 (0.40) SLC6A2OPRL1KMT2AKDM4EALDH1A1
SCHEMBL3599855 0.77 TP53 (0.42) SLC6A2TP53OPRL1MEN1KMT2A

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 21 patents — showing the first 20. 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2010-01-28 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-7601744-B2 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-7601744-B2 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-7601744-B2 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 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
EP-1934193-A1 BENZOTHIADIAZOLYPHENYLALKYLAMINE DERIVATIVES FOR USE IN THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE Wyeth a Corporation of the State of Delaware (US) 2008-06-25 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed
WO-2007041258-A1 BENZOTHIADIAZOLYPHENYLALKYLAMINE DERIVATIVES FOR USE IN THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE WYETH (US) 2007-04-12 WO disclosed
US-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2007-03-29 US disclosed
US-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2007-03-29 US disclosed
US-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2007-03-29 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 (5 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-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES DHFR, RORA, CYP2A6 SLC6A2 3048/4885TP53 2970/4885OPRL1 1220/4885
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885TP53 4581/4885OPRL1 53/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885TP53 4244/4885OPRL1 55/4885
US-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use GLS, SLC6A4, SLC6A3 SLC6A2 11/4885TP53 4696/4885OPRL1 73/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885TP53 4581/4885OPRL1 53/4885

“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.