SCHEMBL3707091

SCHEMBL3707091

O=S(=O)(C=Cc1ccccc1)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
POLB P06746 2/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
RECQL P46063 1/20 0.50
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
PRMT1 Q99873 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
FKBP1A P62942 1/20 0.46

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
SCHEMBL3707088 1.00 GAA (0.61) GAAPOLBMMP1MMP2MMP9
SCHEMBL11105668 0.87 KMT2A (0.60) GAAPOLBMMP1MMP2MMP9
SCHEMBL11107857 0.87 GAA (0.63) GAAPOLBMMP1MMP2MMP9
SCHEMBL11122096 0.87 KMT2A (0.60) GAAPOLBMMP1MMP2MMP9
SCHEMBL11107861 0.87 GAA (0.63) GAAPOLBMMP1MMP2MMP9
SCHEMBL11104524 0.86 GAA (0.58) GAAPOLBMMP1MMP2MMP9
SCHEMBL11104519 0.86 GAA (0.58) GAAPOLBMMP1MMP2MMP9
SCHEMBL11104514 0.86 GAA (0.58) GAAPOLBMMP1MMP2MMP9
SCHEMBL11363464 0.82 TBXA2R (0.65) GAAPOLBLMNA
SCHEMBL11363915 0.82 TBXA2R (0.65) GAAPOLBLMNA

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 4 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-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-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

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 GAA 1983/4885POLB 4211/4885MMP1 4869/4885
US-20120149909-A1 N-SUBSTITUTED-N-PHENYLETHYLSULFONAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY NAT1, TST, PNMT GAA 488/4885POLB 4107/4885MMP1 4677/4885

“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.