SCHEMBL1727786

SCHEMBL1727786

CC(C)(C)CC(C)(C)NS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL10486698 0.79 EPHX1 (0.34) EPHX1POLB
SCHEMBL4256615 0.77 EPHX1 (0.33) EPHX1POLB
SCHEMBL1727841 0.77 TP53 (0.36) EPHX1
SCHEMBL21789225 0.75 EPHX1 (0.32) EPHX1POLB
SCHEMBL24990878 0.73 EPHX1 (0.32) EPHX1
SCHEMBL10486699 0.73 POLB (0.33) EPHX1POLB
Sulfuric Acid SCHEMBL28736285 0.73 POLB (0.33) EPHX1POLB
SCHEMBL2583877 0.73 EPHX1 (0.32) EPHX1
Sulfuric Acid SCHEMBL28736284 0.73 POLB (0.33) EPHX1POLB
SCHEMBL1728031 0.73 ALDH1A1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921124-B2 Pyrazole-based cyanine dye WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-30 US disclosed
WO-2012033298-A3 METHOD FOR MANUFACTURING A NOX GAS SENSOR, AND NOX GAS SENSOR MANUFACTURED USING SAME 일진머티리얼즈 주식회사 (KR) 2012-05-10 WO disclosed
EP-2006289-B1 PYRAZOLE-TYPE CYANINE DYE WAKO PURE CHEM IND LTD (JP) 2011-11-30 EP disclosed
US-20090069546-A1 PYRAZOLE-BASED CYANINE DYE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US disclosed
EP-2006289-A1 PYRAZOLE-TYPE CYANINE DYE Wako Pure Chemical Industries, Ltd. (JP) 2008-12-24 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-20090069546-A1 PYRAZOLE-BASED CYANINE DYE CBR3, CYB5R3, TST EPHX1 4588/4885POLB 4850/4885

“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.