SCHEMBL396148

SCHEMBL396148

Cc1c(N)c(=O)n(-c2cccc(S(=O)(=O)O)c2)n1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.60
PTGS2 P35354 1/20 0.60
TP53 P04637 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DPP4 P27487 1/20 0.43
ALOX15 P16050 1/20 0.42
PTGS1 P23219 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL396551 0.86 BCHE (0.54) BCHEPTGS2TP53ALDH1A1TSHR
SCHEMBL395394 0.83 BCHE (0.62) BCHEPTGS2ALDH1A1TSHRDPP4
Ampyrone SCHEMBL28606780 0.81 BCHE (0.84) BCHEPTGS2ALDH1A1TSHRHSD17B10
SCHEMBL5823375 0.81 BCHE (0.69) BCHEPTGS2TP53ALDH1A1TSHR
Ampyrone SCHEMBL4648040 0.81 BCHE (0.60) BCHEPTGS2TP53ALDH1A1TSHR
Ampyrone SCHEMBL8822010 0.81 BCHE (0.68) BCHEPTGS2ALDH1A1DPP4ALOX15
SCHEMBL17035245 0.80 BCHE (0.71) BCHEPTGS2ALDH1A1TSHRALOX15
Ampyrone SCHEMBL133625 0.78 BCHE (0.56) BCHEPTGS2TP53ALDH1A1TSHR
SCHEMBL396883 0.78 BCHE (0.49) BCHEPTGS2TP53ALDH1A1TDP1
SCHEMBL395617 0.77 BCHE (0.66) BCHEPTGS2TP53ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101641334-B Oxidative color-developing compounds, salts thereof, process for production of the same, reagent compositions and test tools made by using the same TERUMO CORP. (JP) 2012-02-15 CN disclosed
US-8101374-B2 Oxidative chromogenic compound or salt thereof and production method thereof, and reagent composition and test instrument using the same TERUMO KABUSHIKI KAISHA (JP) 2012-01-24 US disclosed
EP-2138483-B1 OXIDATIVE COLOR-DEVELOPING COMPOUNDS, SALTS THEREOF, PROCESS FOR PRODUCTION OF THE SAME, REAGENT COMPOSITIONS AND TEST TOOLS MADE BY USING THE SAME TERUMO CORP (JP) 2011-05-18 EP disclosed
US-20100062464-A1 OXIDATIVE CHROMOGENIC COMPOUND OR SALT THEREOF AND PRODUCTION METHOD THEREOF, AND REAGENT COMPOSITION AND TEST INSTRUMENT USING THE SAME TERUMO KABUSHIKI KAISHA (JP) 2010-03-11 US disclosed
CN-101641334-A Oxidative color-developing compounds, salts thereof, process for production of the same, reagent compositions and test tools made by using the same TERUMO CORP JP 2010-02-03 CN disclosed
EP-2138483-A1 OXIDATIVE COLOR-DEVELOPING COMPOUNDS, SALTS THEREOF, PROCESS FOR PRODUCTION OF THE SAME, REAGENT COMPOSITIONS AND TEST TOOLS MADE BY USING THE SAME Terumo Kabushiki Kaisha (JP) 2009-12-30 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 (1 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-20100062464-A1 OXIDATIVE CHROMOGENIC COMPOUND OR SALT THEREOF AND PRODUCTION METHOD THEREOF, AND REAGENT COMPOSITION AND TEST INSTRUMENT USING THE SAME SCO2, CBR3, CYP11B1 BCHE 1213/4885PTGS2 2327/4885TP53 3110/4885

“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.