SCHEMBL1728031

SCHEMBL1728031

CCCC(C)(C)NS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
FDPS P14324 1/20 0.30

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
SCHEMBL1726736 0.86 CA2 (0.35) ALDH1A1FDPS
SCHEMBL1727784 0.85 CA1 (0.38) FDPS
SCHEMBL1728267 0.83 CA1 (0.41) FDPS
SCHEMBL1726842 0.83 CA1 (0.41) FDPS
SCHEMBL1727841 0.80 TP53 (0.36)
SCHEMBL10891429 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL13164464 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL14611505 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21300545 0.76 CA1 (0.38) ALDH1A1
SCHEMBL1727786 0.73 EPHX1 (0.36)

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 ALDH1A1 2132/4885FDPS 4202/4885

“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.