SCHEMBL15601960

SCHEMBL15601960

CNC(=O)NCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
EPHX2 P34913 2/20 0.42
EPHX1 P07099 5/20 0.37
KMT2A Q03164 1/20 0.36
MTNR1A P48039 2/20 0.35
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL17758467 0.87 EPHX2 (0.51) KEAP1NFE2L2EPHX2EPHX1KMT2A
SCHEMBL15601873 0.80 EPHX1 (0.57) EPHX2EPHX1KMT2ALMNACYP2C19
SCHEMBL14505537 0.80 EPHX2 (0.49) EPHX2EPHX1KMT2AMTNR1A
SCHEMBL22146123 0.79 KEAP1 (0.40) KEAP1NFE2L2EPHX1KMT2AMTNR1A
SCHEMBL13466509 0.78 KEAP1 (0.61) KEAP1NFE2L2EPHX1KMT2A
SCHEMBL9650593 0.77 LMNA (0.39) EPHX2EPHX1PTGS1PDE4ALMNA
SCHEMBL4545266 0.77 KEAP1 (0.48) KEAP1NFE2L2EPHX1KMT2AMTNR1A
SCHEMBL23328387 0.77 EPHX1 (0.67) EPHX2EPHX1KMT2ALMNA
SCHEMBL15592302 0.77 EPHX1 (0.56) EPHX2EPHX1KMT2ALMNA
SCHEMBL15257511 0.77 LMNA (0.39) EPHX2KMT2ALMNA

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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 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 (3 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 KEAP1 3363/4885NFE2L2 4342/4885EPHX2 3617/4885
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 KEAP1 3995/4885NFE2L2 4729/4885EPHX2 3100/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 KEAP1 3239/4885NFE2L2 4167/4885EPHX2 1956/4885

“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.