SCHEMBL293003

SCHEMBL293003

CCCN(CC)S(N)(=O)=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.80
CA2 P00918 7/20 0.80
CA12 O43570 4/20 0.80
CA14 Q9ULX7 2/20 0.80
SMN1; SMN2 Q16637 2/20 0.33
CA9 Q16790 2/20 0.33
CA7 P43166 1/20 0.33
RAB9A P51151 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
UGT1A7 Q9HAW7 1/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
SERPINE1 P05121 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 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
SCHEMBL42342 0.89 CA1 (1.00) CA1CA2CA12CA14SMN1; SMN2
SCHEMBL293493 0.85 CA1 (0.58) CA1CA2CA12CA14CA9
SCHEMBL43035 0.83
SCHEMBL392284 0.81 CA2 (0.54) CA1CA2CA12CA14CA9
Methane SCHEMBL9512530 0.80 CA1 (0.57) CA1CA2CA12CA14SMN1; SMN2
SCHEMBL24393060 0.80 CA2 (0.52) CA1CA2CA12CA14SMN1; SMN2
SCHEMBL17358811 0.80 CA1 (0.52) CA1CA2CA12CA14SMN1; SMN2
SCHEMBL293342 0.80 CA1 (0.81) CA1CA2CA12CA14CA9
SCHEMBL28163257 0.78 CA1 (0.60) CA1CA2CA12CA14SMN1; SMN2
SCHEMBL8215971 0.77 CA2 (0.74) CA1CA2CA12CA14CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 US disclosed
US-9831042-B2 Organic dyes comprising a hydrazone moiety and their use in dye-sensitized solar cells BASF SE (DE) 2017-11-28 US disclosed
US-20160126022-A1 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BASF SE (DE) 2016-05-05 US disclosed
EP-2870204-A2 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BASF SE (DE) 2015-05-13 EP disclosed
WO-2014006544-A2 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BASF SE (DE) 2014-01-09 WO disclosed
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 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 (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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 CA1 4424/4885CA2 2645/4885CA12 4654/4885
US-20160126022-A1 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS C1S, C9, C1R CA1 294/4885CA2 174/4885CA12 164/4885
US-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 CA1 4685/4885CA2 2321/4885CA12 4320/4885

“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.