SCHEMBL19627842

SCHEMBL19627842

CCCC[N+]1=CN(CCCCS(=O)(=O)[O-])CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BBOX1 O75936 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL19565374 0.86 EPHX2 (0.31) —
Hydrochloric Acid SCHEMBL4052333 0.81 CCR5 (0.37) —
SCHEMBL22189075 0.79 EEF2K (0.35) HTT
SCHEMBL2170722 0.76 — —
Iodide SCHEMBL11780602 0.74 EEF2K (0.38) ALDH1A1
SCHEMBL6520656 0.73 — —
SCHEMBL18477681 0.72 — —
Hydrochloric Acid SCHEMBL6725360 0.70 — —
SCHEMBL18477682 0.69 — —
SCHEMBL6518280 0.68 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170335171-A1 BRANCHED GEMINAL ZWITTERIONIC LIQUIDS, METHOD FOR OBTAINING SAME AND USE THEREOF AS WETTABILITY MODIFIERS HAVING VISCOSITY REDUCING PROPERTIES INSTITUTO MEXICANO DEL PETRÓLEO (MX) 2017-11-23 — — 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-20170335171-A1 BRANCHED GEMINAL ZWITTERIONIC LIQUIDS, METHOD FOR OBTAINING SAME AND USE THEREOF AS WETTABILITY MODIFIERS HAVING VISCOSITY REDUCING PROPERTIES DGKA, DGKG, DGKK BBOX1 264/4885KDM4E 2910/4885ALDH1A1 4885/4885

“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.

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