SCHEMBL2103296

SCHEMBL2103296

[CH2]S(=O)(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.58
CA2 P00918 3/20 0.58
CA1 P00915 2/20 0.58
IL1RN P18510 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 3/20 0.52
PKM P14618 2/20 0.52
HSD17B10 Q99714 2/20 0.48
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
TDP1 Q9NUW8 3/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 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
SCHEMBL1424434 0.78 TGM2 (0.64) KEAP1CA2CA1IL1RNERAP1
SCHEMBL59151 0.78 KEAP1 (0.64) KEAP1CA2CA1IL1RNERAP1
SCHEMBL6005110 0.78 CA2 (0.64) KEAP1CA2CA1IL1RNERAP1
SCHEMBL11335118 0.77 TGM2 (0.61) KEAP1CA2CA1IL1RNERAP1
SCHEMBL23141160 0.76 KEAP1 (0.61) KEAP1CA2CA1IL1RNERAP1
SCHEMBL27952528 0.75 KEAP1 (0.54) KEAP1CA2CA1IL1RNERAP1
Formaldehyde SCHEMBL28212330 0.75 CA2 (0.54) KEAP1CA2CA1IL1RNERAP1
SCHEMBL1706481 0.75 CA1 (0.61) CA2CA1KMT2AMEN1ALDH1A1
SCHEMBL7438763 0.75 CA1 (0.61) CA2CA1KMT2AMEN1ALDH1A1
SCHEMBL5378696 0.74 CA2 (0.58) KEAP1CA2CA1IL1RNERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US disclosed
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 KEAP1 4038/4885CA2 1729/4885CA1 1175/4885
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB KEAP1 1162/4885CA2 413/4885CA1 725/4885

“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.