SCHEMBL4068438

SCHEMBL4068438

Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.79
KDM4E B2RXH2 1/20 0.79
RECQL P46063 1/20 0.79
ALDH1A1 P00352 8/20 0.70
CYP3A4 P08684 1/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
HTT P42858 1/20 0.70
LMNA P02545 3/20 0.64
HPGD P15428 1/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
GAA P10253 2/20 0.59
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53

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
SCHEMBL13845977 1.00 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL16093290 1.00 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL4066993 0.98 SMN1; SMN2 (0.81) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12418058 0.95 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL5452364 0.95 SMN1; SMN2 (0.75) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL11253764 0.91 SMN1; SMN2 (0.65) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL4071039 0.91 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
Toluene SCHEMBL27696348 0.88 ALDH1A1 (0.73) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL23093579 0.83 KDM4E (0.58) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL6191704 0.83 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146358-B Method for synthesizing amino- (N-alkyl) benzene sulfonamide 南京理工大学 2018-01-23 CN disclosed
CN-106146358-A Method for synthesizing amino- (N-alkyl) benzene sulfonamide 南京理工大学 2016-11-23 CN disclosed
CN-100558698-C Calcium Receptor Active Compounds NPS PHARMA INC (US) 2009-11-11 CN disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
WO-2003082881-A2 PYRIDOXAL-5-PHOSPHATE DERIVATIVES AS HIV INTEGRASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2003-10-09 WO disclosed
CN-1220658-A Calcium Receptor Active Compounds NPS PHARMA INC (US) 1999-06-23 CN disclosed
US-4431585-A THIAZOLE AND THIOPHENE DYES; DIAZOTIZATION; COUPLING CASSELLA AKTIENGESELLSCHAFT (DE) 1984-02-14 US disclosed
US-4329283-A DISPERSE DYES BAYER AKTIENGESELLSCHAFT (DE) 1982-05-11 US disclosed
EP-0035671-A1 Water-insoluble azo dyestuffs, methods for their preparation and their use in dyeing and printing synthetic hydrophobic fibre materials CASSELLA Aktiengesellschaft (DE) 1981-09-16 EP disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4156086-A INTERMEDIATES FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed
US-4038268-A DIAZOTIZATION, COUPLING BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A SMN1; SMN2 3431/4885KDM4E 3083/4885RECQL 637/4885

“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.