SCHEMBL6566079

SCHEMBL6566079

NC(=O)N[S+]([O-])c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
GAA P10253 4/20 0.38
GFER P55789 1/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
BCAT2 O15382 1/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL16127201 0.79 NAPRT (0.43) MAPTGAACYP2C19L3MBTL1TSHR
SCHEMBL8292164 0.79 MMP2 (0.39) MAPTCYP2C19CYP3A4RECQLPTPN1
SCHEMBL20048670 0.76 TAAR1 (0.50) GAA
SCHEMBL20048760 0.75 LTA4H (0.36) MAPTCYP2C19ALDH1A1KDM4E
SCHEMBL21691177 0.74 CTSD (0.41) CYP2C19TSHRPOLBCYP3A4RECQL
Methylphenylsulfoxide SCHEMBL28161143 0.74 MAPT (0.43) MAPTGAACYP2C19L3MBTL1TSHR
SCHEMBL20048717 0.73 ALPI (0.36) MAPTGAAPOLBCYP3A4PMP22
SCHEMBL20048847 0.73 TAAR1 (0.37) GAA
SCHEMBL20048759 0.73 LTA4H (0.44) CYP2C19
(Phenylsulfinyl)Benzene SCHEMBL8958041 0.73 MAPT (0.44) MAPTGAAGFERCYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506937-B2 Used as antiarrhythmics SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-14 US claimed
CN-1058705-C Substituted benzene sulfone urea, benzenesulfonyl thiourea its preparation, its application as medicine or diagnostic medicine and drugs containing it HOECHST AG (DE) 2000-11-22 CN claimed
CN-1137519-A Substituted benzenesulfonylureas and -thioureas, processes for their preparation, their use for production of pharmaceutical preparations, and pharmaceutical preparations containing them HOECHST AG (DE) 1996-12-11 CN claimed
CN-1134414-A Substituted benzene sulfone urea, benzenesulfonyl thiourea its preparation, its application as medicine or diagnostic medicine and drugs containing it HOECHST AG (DE) 1996-10-30 CN claimed
EP-0006587-B1 SULFONYL UREAS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-11 EP claimed
CN-1195524-C Use of benzenesulfonyl (thio) ureas in combination with beta-receptor blockers for the preparation of a medicament for the treatment and prophylaxis of cardiac vagal dysfunction AVENTIS PHARMA GMBH (DE) 2005-04-06 CN disclosed
EP-1401419-A1 BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT OF SEPTIC SHOCK AND SIRS Aventis Pharma Deutschland GmbH (DE) 2004-03-31 EP disclosed
US-20030083385-A1 Use of benzenesulfonyl (thioureas or ure as) for treating of septic shock or gene ralized inflammatory syndrome GERLACH UWE (DE) 2003-05-01 US disclosed
WO-2003000244-A1 BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT OF SEPTIC SHOCK AND SIRS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-01-03 WO disclosed
CN-1319014-A Use of benzenesulfonyl (thio) ureas for treatment and prophylaxis of dysfunctions of autonomous nervous system and use of benzenesulfonyl(thio) ureas in combination with beta-receptor blockers AVENTIS PHARMA GMBH (DE) 2001-10-24 CN disclosed
CN-1064041-C Substituted benzenesulfonylureas and -thioureas, processes for their preparation, their use for production of pharmaceutical preparations, and pharmaceutical preparations containing them HOECHST AG (DE) 2001-04-04 CN disclosed
CN-1058705-C Substituted benzene sulfone urea, benzenesulfonyl thiourea its preparation, its application as medicine or diagnostic medicine and drugs containing it HOECHST AG (DE) 2000-11-22 CN disclosed
CN-1137519-A Substituted benzenesulfonylureas and -thioureas, processes for their preparation, their use for production of pharmaceutical preparations, and pharmaceutical preparations containing them HOECHST AG (DE) 1996-12-11 CN disclosed
CN-1134414-A Substituted benzene sulfone urea, benzenesulfonyl thiourea its preparation, its application as medicine or diagnostic medicine and drugs containing it HOECHST AG (DE) 1996-10-30 CN disclosed
US-4379785-A Heterocyclic substituted sulfonyl ureas, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-12 US disclosed
US-4379153-A Benzenesulfonyl ureas, and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-05 US disclosed
US-4282239-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed
US-3962244-A LOWERING OF BLOOD-SUGAR LEVELS HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed
US-3932658-A Composition and method for lower blood sugar containing N-[4-(β-<2-methoxy-5-chloro-benzamido>-ethyl)-benzenesulfonyl]-N'-cyclopentyl-urea HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-13 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 (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-20030083385-A1 Use of benzenesulfonyl (thioureas or ure as) for treating of septic shock or gene ralized inflammatory syndrome UTS2R, EIF2S1, TST MAPT 4798/4885GAA 4728/4885GFER 1025/4885

“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.