SCHEMBL3701345

SCHEMBL3701345

O=S(=O)(NCCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.72
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 4/20 0.61
SCN1A P35498 2/20 0.61
SCN2A Q99250 2/20 0.61
SCN3A Q9NY46 2/20 0.61
KDM4E B2RXH2 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
HSD17B10 Q99714 2/20 0.61
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PRMT1 Q99873 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL14919628 0.92 NSD2 (0.83) NSD2SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL6848713 0.88 NSD2 (0.58) NSD2SMN1; SMN2ALDH1A1SCN1ASCN2A
SCHEMBL10453019 0.88 NSD2 (0.58) NSD2SMN1; SMN2ALDH1A1SCN1ASCN2A
SCHEMBL20026077 0.84 NSD2 (0.70) NSD2ALDH1A1SCN1ASCN2ASCN3A
SCHEMBL4470111 0.84 NSD2 (0.71) NSD2SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL4441217 0.84 NSD2 (1.00) NSD2SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL11107108 0.83 HDAC1 (0.53) NSD2SMN1; SMN2ALDH1A1SCN1ASCN2A
SCHEMBL11107112 0.83 HDAC1 (0.53) NSD2SMN1; SMN2ALDH1A1SCN1ASCN2A
SCHEMBL11372267 0.83 TBXA2R (0.69) NSD2SMN1; SMN2ALDH1A1SCN1ASCN2A
SCHEMBL9718394 0.83 NSD2 (0.52) NSD2SMN1; SMN2ALDH1A1SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809584-B2 N-substituted-N-phenylethylsulfonamides for the identification of biological and pharmacological activity INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2014-08-19 US disclosed
US-8809584-B2 N-substituted-N-phenylethylsulfonamides for the identification of biological and pharmacological activity INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2014-08-19 US disclosed
US-8809584-B2 N-substituted-N-phenylethylsulfonamides for the identification of biological and pharmacological activity INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2014-08-19 US disclosed
US-20120149909-A1 N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY AMIRA THERAPEUTICS, S.L. (ES) 2012-06-14 US disclosed
US-20120149909-A1 N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY AMIRA THERAPEUTICS, S.L. (ES) 2012-06-14 US disclosed
US-20120149909-A1 N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY AMIRA THERAPEUTICS, S.L. (ES) 2012-06-14 US disclosed
US-20120122920-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR DRUG DISCOVERY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
US-20120122710-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
US-20120122710-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
US-20120122920-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR DRUG DISCOVERY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
US-20120122920-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR DRUG DISCOVERY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
US-20120122710-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 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-20120122920-A1 LIBRARIES OF N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR DRUG DISCOVERY TST, PNMT, PTPRS NSD2 1902/4885SMN1; SMN2 2551/4885ALDH1A1 1565/4885
US-20120149909-A1 N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY NAT1, TST, PNMT NSD2 2838/4885SMN1; SMN2 2852/4885ALDH1A1 2578/4885

“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.