SCHEMBL5897405

SCHEMBL5897405

CCCCC[CH]NS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.43
EPHX2 P34913 3/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37

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
SCHEMBL15561977 0.93 PPARA (0.40) PPARAEPHX2TP53CA1CA2
SCHEMBL27608804 0.84
SCHEMBL7606615 0.80 TSHR (0.41) PPARAEPHX2CA1CA2TSHR
SCHEMBL28303493 0.78 PPARA (0.51) PPARAEPHX2
SCHEMBL7654409 0.76
SCHEMBL5843086 0.73 TSHR (0.40) PPARAEPHX2TP53CA1CA2
Hexane SCHEMBL4780958 0.72 CA1 (0.54) PPARATP53CA1CA2TSHR
SCHEMBL17107097 0.70 CA1 (0.58) PPARACA1CA2TSHREPHX1
Heptane SCHEMBL8018203 0.70 CA1 (0.58) PPARACA1CA2TSHREPHX1
Undecane SCHEMBL27619562 0.70 CA1 (0.58) PPARACA1CA2TSHREPHX1

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-6982330-B2 Carbazole based compound, coloring material, colored high molecular organic material and electroluminescent material DAI NIPPON PRINTING CO., LTD (JP) 2006-01-03 US disclosed
US-20030214228-A1 Carbazole based compound, coloring material, colored high molecular organic material and electroluminescent material DAI NIPPON PRINTING CO., LTD. (JP) 2003-11-20 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-20030214228-A1 Carbazole based compound, coloring material, colored high molecular organic material and electroluminescent material SULT1A1, SULT1E1, SULT2A1 PPARA 2077/4885EPHX2 2277/4885TP53 4125/4885

“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.