SCHEMBL876290

SCHEMBL876290

Cc1c(O)ccc2c(CS(=O)(=O)O)cc(=O)oc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
GLA P06280 2/20 0.64
HPGD P15428 2/20 0.64
MAOB P27338 2/20 0.60
P4HB P07237 1/20 0.55
GAA P10253 1/20 0.55
CA12 O43570 8/20 0.53
CA9 Q16790 8/20 0.53
POLB P06746 1/20 0.53
TNF P01375 1/20 0.52
NOD2 Q9HC29 1/20 0.52
NOD1 Q9Y239 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.50
PON1 P27169 1/20 0.49

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
SCHEMBL15104539 0.99 KDM4E (0.63) KDM4EALDH1A1GLAHPGDMAOB
SCHEMBL15104536 0.88 KDM4E (0.60) KDM4EALDH1A1GLAHPGDMAOB
SCHEMBL876286 0.81 MCL1 (0.73) KDM4EALDH1A1GLAHPGDMAOB
SCHEMBL15984890 0.80 KDM4E (0.64) KDM4EALDH1A1GLAHPGDMAOB
SCHEMBL7000517 0.79 KDM4E (0.70) KDM4EALDH1A1GLAHPGDMAOB
SCHEMBL5345045 0.77 MAOB (0.77) KDM4EALDH1A1GLAHPGDMAOB
SCHEMBL18074001 0.77 KDM4E (0.62) KDM4EALDH1A1GLAHPGDMAOB
Hydrazine SCHEMBL28219088 0.76 ESR1 (0.60) KDM4EALDH1A1GLAHPGDMAOB
SCHEMBL4187220 0.76 MAOB (1.00) KDM4EALDH1A1GLAHPGDMAOB
B-D-Galactose SCHEMBL15104533 0.75 KMT2A (0.52) KDM4EALDH1A1GLAHPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3196274-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, AND USES THEREOF Etablissements J. Soufflet (FR) 2017-07-26 EP claimed
EP-2619281-B1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF J SOUFFLET ETS (FR) 2016-11-09 EP claimed
EP-2619281-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF ETS J. Soufflet (FR) 2013-07-31 EP claimed
WO-2012038614-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF ETS J. SOUFFLET (FR) 2012-03-29 WO claimed
EP-3196274-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, AND USES THEREOF Etablissements J. Soufflet (FR) 2017-07-26 EP disclosed
EP-3196274-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, AND USES THEREOF Etablissements J. Soufflet (FR) 2017-07-26 EP disclosed
EP-2619281-B1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF J SOUFFLET ETS (FR) 2016-11-09 EP disclosed
US-20140234884-A1 FLUOROGENIC SUBSTRATES, METHODS OF MAKING THE SUBSTRATES, AND METHODS OF DETECTING GLYCOSIDASE ACTIVITIES UNIVERSITE DE STRASBOURG (FR) 2014-08-21 US disclosed
US-20140234884-A1 FLUOROGENIC SUBSTRATES, METHODS OF MAKING THE SUBSTRATES, AND METHODS OF DETECTING GLYCOSIDASE ACTIVITIES UNIVERSITE DE STRASBOURG (FR) 2014-08-21 US disclosed
US-8716496-B2 Sulfonated coumarins, their synthesis, fluorogenic substrates resulting from grafting of these coumarins on sugars, method for obtaining these substrates, and their applications Soufflet, Ets J. (FR) 2014-05-06 US disclosed
US-8716496-B2 Sulfonated coumarins, their synthesis, fluorogenic substrates resulting from grafting of these coumarins on sugars, method for obtaining these substrates, and their applications Soufflet, Ets J. (FR) 2014-05-06 US disclosed
EP-2619281-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF ETS J. Soufflet (FR) 2013-07-31 EP disclosed
US-20130183700-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2013-07-18 US disclosed
US-20130183700-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2013-07-18 US disclosed
WO-2012038614-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF ETS J. SOUFFLET (FR) 2012-03-29 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 (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-20140234884-A1 FLUOROGENIC SUBSTRATES, METHODS OF MAKING THE SUBSTRATES, AND METHODS OF DETECTING GLYCOSIDASE ACTIVITIES ENGASE, GBA3, GMDS KDM4E 1348/4885ALDH1A1 2454/4885GLA 70/4885

“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.