SCHEMBL8564999

SCHEMBL8564999

O=c1cc(CS(=O)(=O)O)c2cc(F)c(O)c(F)c2o1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
GLA P06280 8/20 0.38
GAA P10253 7/20 0.38
ALDH1A1 P00352 7/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MCL1 Q07820 5/20 0.37
MAOB P27338 1/20 0.34
ERAP1 Q9NZ08 2/20 0.34
HPGD P15428 5/20 0.33
HIF1A Q16665 3/20 0.33
NOS2 P35228 1/20 0.33
MET P08581 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL875961 0.99 KDM4E (0.39) KDM4EGLAGAAALDH1A1CASP1
SCHEMBL8565004 0.86 GAA (0.38) KDM4EGLAGAAALDH1A1CASP1
SCHEMBL669385 0.80 MCL1 (0.56) KDM4EGLAGAAALDH1A1CASP1
SCHEMBL8571050 0.75 MET (0.51) KDM4EGAAALDH1A1HSD17B10MCL1
Ribose (Furanose) SCHEMBL15104611 0.74 KMT2A (0.36) KDM4EGLAGAAALDH1A1CASP1
SCHEMBL4413285 0.74 GAA (0.52) KDM4EGLAGAAALDH1A1CASP1
SCHEMBL15170269 0.74 MCL1 (0.55) KDM4EGLAGAAALDH1A1CASP1
Beta-D-Glucose SCHEMBL15104509 0.74 KMT2A (0.37) KDM4EGLAGAAALDH1A1CASP1
SCHEMBL875529 0.73 KMT2A (0.42) KDM4EGLAGAAALDH1A1CASP1
SCHEMBL565580 0.72 MCL1 (0.55) KDM4EGLAGAAALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-5830912-A Derivatives of 6,8-difluoro-7-hydroxycoumarin MOLECULAR PROBES, INC. (US) 1998-11-03 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 (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 1348/4885GLA 70/4885GAA 62/4885

“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.