SCHEMBL5376331

SCHEMBL5376331

O=[N+]([O-])c1ccccc1SCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
GSTP1 P09211 1/20 0.58
GSTM2 P28161 1/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
HPGD P15428 1/20 0.58
EGFR P00533 1/20 0.52
POLB P06746 3/20 0.52
ALDH1A1 P00352 8/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
CYP2C9 P11712 1/20 0.50
CTSB P07858 1/20 0.50
ALPG P10696 1/20 0.50

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
SCHEMBL30310237 0.85 KMT2A (0.54) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL22587912 0.85 MEN1 (0.54) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL6901685 0.84 MEN1 (0.49) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL8996846 0.83 SMN1; SMN2 (0.51) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL16029554 0.81 MEN1 (0.52) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL11409450 0.81 GSTP1 (0.54) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL28127 0.81 PDE7A (0.55) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL29449334 0.81 PDE7A (0.55) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL8563127 0.81 MEN1 (0.59) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL27225074 0.81 GSTP1 (0.54) MEN1KMT2AGSTP1GSTM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646396-B A kind of synthetic method of benzothiazole derivant 上海应用技术学院 2018-09-14 CN claimed
CN-105324379-B Benzimidazole derivatives as bromodomain inhibitors 吉利德科学公司 2018-12-04 CN disclosed
CN-105646396-B A kind of synthetic method of benzothiazole derivant 上海应用技术学院 2018-09-14 CN disclosed
CN-105646396-A Method for synthesizing benzothiazole derivatives 上海应用技术学院 2016-06-08 CN disclosed
CN-102558018-B Benzene sulphenamide derivative and the purposes in preparation antibacterials thereof NANKAI UNIVERSITY (CN) 2015-08-12 CN disclosed
CN-102775360-B Triazole ring-containing asymmetric disulfide ether compounds, synthesis method and usage thereof UNIV NANKAI 2015-05-06 CN disclosed
CN-102775360-A Triazole ring-containing asymmetric disulfide ether compounds, synthesis method and usage thereof UNIV NANKAI 2012-11-14 CN disclosed
CN-102558018-A Benzene sulfamide derivative and applications thereof in producing antibacterial drugs UNIV NANKAI 2012-07-11 CN disclosed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
CN-1930121-A Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER PROD INC (US) 2007-03-14 CN disclosed
EP-1725524-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Incorporated (US) 2006-11-29 EP disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 US disclosed
WO-2005092845-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-10-06 WO disclosed
CN-1051305-C Acylated aminophenyl urea compounds, their preparation and their use as herbicides and plant-growth regulators HOECHST SCHERING AGREVO GMBH (DE) 2000-04-12 CN disclosed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US disclosed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 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 (2 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-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD MEN1 4855/4885KMT2A 3530/4885GSTP1 874/4885
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD MEN1 4861/4885KMT2A 3601/4885GSTP1 973/4885

“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.