SCHEMBL5138891

SCHEMBL5138891

Cc1ccc(S(=O)(=O)[N]S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.59
PRSS1 P07477 2/20 0.59
PRSS2 P07478 2/20 0.59
PRSS3 P35030 2/20 0.59
GAA P10253 3/20 0.59
CYP2C19 P33261 2/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 1/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA3 P07451 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
TLR9 Q9NR96 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50

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
SCHEMBL127246 0.82 F2 (0.57) F2PRSS1PRSS2PRSS3GAA
SCHEMBL9057442 0.82 F2 (0.63) F2PRSS1PRSS2PRSS3GAA
SCHEMBL663730 0.82 CYP2C19 (0.59) F2PRSS1PRSS2PRSS3GAA
SCHEMBL10073006 0.80 F2 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL7777272 0.80 F2 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL2412814 0.80 F2 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL14382173 0.80 F2 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL2412815 0.80 F2 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL7770967 0.80 F2 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL1162226 0.78 HTT (0.55) F2PRSS1PRSS2PRSS3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006023720-A2 REACTIONS OF ENOLIZABLE A-AMINO ALDEHYDES OR KETONES TO FORM AMINE THE SCRIPPS RESEARCH INSTITUTE (US) 2006-03-02 WO claimed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US claimed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US claimed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed
US-4837307-A [1,1'-biphenyl]compounds having a 2,2'-(alkyl)bridge and a 3-yl(substituted)methyl substituent FMC CORPORATION (US) 1989-06-06 US claimed
US-4668792-A Intermediates to insecticidal [1,1'-biphenyl]-3-ylmethyl esters FMC CORPORATION (US) 1987-05-26 US claimed
EP-1658298-B1 PHOSPHORUS-CONTAINING IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2008-03-26 EP disclosed
US-20070010493-A1 Phospinite-imidazolines and metal complexes thereof SOLVIAS AG (CH) 2007-01-11 US disclosed
EP-1658298-A2 NOVEL ORGANIC COMPOUNDS AND METAL COMPLEXES Solvias AG (CH) 2006-05-24 EP disclosed
WO-2005021562-A2 PHOSPINITE-IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2005-03-10 WO disclosed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-6515002-B2 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
US-4837307-A [1,1'-biphenyl]compounds having a 2,2'-(alkyl)bridge and a 3-yl(substituted)methyl substituent FMC CORPORATION (US) 1989-06-06 US disclosed
US-4668792-A Intermediates to insecticidal [1,1'-biphenyl]-3-ylmethyl esters FMC CORPORATION (US) 1987-05-26 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-20070010493-A1 Phospinite-imidazolines and metal complexes thereof H1-0, H1-2, H1-3 F2 36/4885PRSS1 3725/4885PRSS2 3760/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 F2 92/4885PRSS1 5/4885PRSS2 3/4885

“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.