SCHEMBL3800829

SCHEMBL3800829

CCCCCCCCCCNS(=O)(=O)NC

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.72
CA2 P00918 5/20 0.67
CA1 P00915 5/20 0.67
CA12 O43570 3/20 0.62
CA14 Q9ULX7 3/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 1/20 0.55
EPHX1 P07099 2/20 0.53

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
SCHEMBL21693509 0.98 PPARA (0.68) PPARACA2CA1CA12CA14
SCHEMBL19115006 0.91 CA1 (0.76) PPARACA2CA1CA12CA14
SCHEMBL9285865 0.88 PPARA (0.91) PPARACA2CA1CA12CA14
SCHEMBL10892940 0.88 PPARA (0.91) PPARACA2CA1CA12CA14
SCHEMBL3792249 0.88 PPARA (0.91) PPARACA2CA1CA12CA14
SCHEMBL4563383 0.85 PPARA (0.86) PPARACA2CA1CA12CA14
SCHEMBL3117611 0.84 PPARA (1.00) PPARACA2CA1CA12CA14
SCHEMBL18644318 0.84 PPARA (1.00) PPARACA2CA1CA12CA14
SCHEMBL3119510 0.84 PPARA (1.00) PPARACA2CA1CA12CA14
SCHEMBL3120899 0.84 PPARA (1.00) PPARACA2CA1CA12CA14

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-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-20100140559-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2010-06-10 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-20160126022-A1 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS C1S, C9, C1R PPARA 4641/4885CA2 174/4885CA1 294/4885

“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.