SCHEMBL14739265

SCHEMBL14739265

CS(=O)(=O)NCCCCCCCCCCNS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.52
POLB P06746 1/20 0.50
PPARA Q07869 4/20 0.48
ALDH1A1 P00352 2/20 0.47
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
EPHX1 P07099 1/20 0.43
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY5R Q15761 3/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL14740061 1.00 GRIA1 (0.52) GRIA1POLBPPARAALDH1A1CA1
SCHEMBL14739816 1.00 GRIA1 (0.52) GRIA1POLBPPARAALDH1A1CA1
SCHEMBL14740296 1.00 GRIA1 (0.52) GRIA1POLBPPARAALDH1A1CA1
SCHEMBL14740248 1.00 GRIA1 (0.52) GRIA1POLBPPARAALDH1A1CA1
SCHEMBL14739515 1.00 GRIA1 (0.52) GRIA1POLBPPARAALDH1A1CA1
SCHEMBL14739086 1.00 GRIA1 (0.52) GRIA1POLBPPARAALDH1A1CA1
SCHEMBL15836237 1.00 GRIA1 (0.52) GRIA1POLBPPARAALDH1A1CA1
SCHEMBL12090531 0.97 POLB (0.52) GRIA1POLBPPARAALDH1A1CA1
SCHEMBL11335730 0.89 PPARA (0.64) PPARACA1CA2CA12CA7
SCHEMBL2694822 0.89 PPARA (0.64) PPARACA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562183-B2 Use of compounds with nitrogen-containing functional groups for thermal energy storage ARKEMA FRANCE (FR) 2017-02-07 US disclosed
US-20130056175-A1 USE OF COMPOUNDS WITH NITROGEN-CONTAINING FUNCTIONAL GROUPS FOR THERMAL ENERGY STORAGE ARKEMA FRANCE (FR) 2013-03-07 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-20130056175-A1 USE OF COMPOUNDS WITH NITROGEN-CONTAINING FUNCTIONAL GROUPS FOR THERMAL ENERGY STORAGE S100A4, NUCB2, C9 GRIA1 4552/4885POLB 2662/4885PPARA 3717/4885

“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.