SCHEMBL6553349

SCHEMBL6553349

Cc1ccc(S(=O)(=O)OCC#Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.51
CA9 Q16790 6/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA7 P43166 1/20 0.51
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP13 P45452 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
VDR P11473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.40
STAT3 P40763 1/20 0.40
VCP P55072 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL7581349 0.92 CA12 (0.50) CA12CA9CA1CA2CA7
SCHEMBL18934374 0.92 CA12 (0.50) CA12CA9CA1CA2CA7
SCHEMBL18934373 0.90 CA12 (0.46) CA12CA9CA1CA2CA7
SCHEMBL7579543 0.89 CA12 (0.54) CA12CA9CA1CA2CA7
SCHEMBL18926551 0.87 CA12 (0.45) CA12CA9CA1CA2CA7
SCHEMBL18934372 0.86 VDR (0.42) CA12CA9CA1CA2CA7
SCHEMBL6338672 0.85 KCNH2 (0.46) CA12CA9CA1CA2CA7
SCHEMBL6880345 0.85 MMP3 (0.45) CA12CA9CA1CA2CA7
SCHEMBL18926553 0.85 CA12 (0.42) CA12CA9CA1CA2CA7
SCHEMBL7644858 0.84 GAA (0.46) CA12CA9CA1CA2CA7

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-119100962-A Se-deuterated methylation or Se-13Application of C methylation reagent 浙江工业大学 2024-12-10 CN disclosed
US-20170283375-A1 ABSCISIC ACID DERIVATIVE NATIONAL UNIVERSITY COPRORATION SHIZHUOKA UNIVERSITY (JP) 2017-10-05 US disclosed
US-20170283375-A1 ABSCISIC ACID DERIVATIVE NATIONAL UNIVERSITY COPRORATION SHIZHUOKA UNIVERSITY (JP) 2017-10-05 US disclosed
WO-2016047532-A1 ABSCISIC ACID DERIVATIVE 国立大学法人静岡大学 2016-03-31 WO disclosed
EP-1135369-B1 ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-25 EP disclosed
EP-1135368-B1 ALPHA-SULFIN- AND ALPHA-SULFON-AMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-25 EP disclosed
US-6538016-B2 For controlling and preventing an infestation of crop plants by phytopathogenic microorganisms, preferably fungi SYNGENTA PARTICIPATIONS AG (CH) 2003-03-25 US disclosed
US-6538159-B2 For use in protecting plants against infestation by phytopathogenic microorganisms SYNGENTA PARTICIPATIONS AG (CH) 2003-03-25 US disclosed
EP-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-20020099241-A1 For use in protecting plants against infestation by phytopathogenic microorganisms SYNGENTA PARTICIPATIONS AG (CH) 2002-07-25 US disclosed
US-20020082452-A1 alpha-sulfin-and alpha-sulfonamino acid amides SYNGENTA PARTICIPATIONS AG (CH) 2002-06-27 US disclosed
EP-1135368-A2 ALPHA-SULFIN- AND ALPHA-SULFON-AMINO ACID AMIDES Syngenta Participations AG (CH) 2001-09-26 EP disclosed
EP-1135369-A2 ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDES Syngenta Participations AG (CH) 2001-09-26 EP disclosed
WO-2000032568-A2 $G(A)-SULFIN- AND $G(A)-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-06-08 WO disclosed
WO-2000032569-A2 ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-06-08 WO disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP 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 (3 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-20170283375-A1 ABSCISIC ACID DERIVATIVE RER1, NPR1, NPFFR1 CA12 2605/4885CA9 2375/4885CA1 1751/4885
US-20020082452-A1 alpha-sulfin-and alpha-sulfonamino acid amides SULT1A1, CBR1, SULT2A1 CA12 176/4885CA9 272/4885CA1 132/4885
US-20020099241-A1 For use in protecting plants against infestation by phytopathogenic microorganisms CBR1, CBR3, MSR1 CA12 720/4885CA9 1991/4885CA1 1168/4885

“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.