SCHEMBL18822076

SCHEMBL18822076

Nc1cc(N=O)cc(N=O)c1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SENP3 Q9H4L4 2/20 0.31
▸ SENP2 Q9HC62 2/20 0.31
▸ SENP1 Q9P0U3 2/20 0.31
▸ SUMO2 P61956 1/20 0.31
▸ SUMO1 P63165 1/20 0.31
▸ SENP7 Q9BQF6 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
SCHEMBL11968681 0.76 ALDH1A1 (0.31) ALDH1A1HSD17B10
SCHEMBL12174816 0.71 ALDH1A1 (0.36) ALDH1A1HSD17B10
SCHEMBL667719 0.66 ALDH1A1 (0.42) ALDH1A1HSD17B10
SCHEMBL28162127 0.65 RAD1 (0.37) ALDH1A1HSD17B10SENP3SENP2SENP1
SCHEMBL18268213 0.65 ALDH1A1 (0.54) ALDH1A1HSD17B10
SCHEMBL3089972 0.65 LCK (0.43) ALDH1A1HSD17B10SENP3SENP2SENP1
SCHEMBL13214341 0.64 CASP6 (0.50) ALDH1A1HSD17B10SENP2SUMO2SUMO1
SCHEMBL8817406 0.64 SENP2 (0.43) ALDH1A1HSD17B10SENP3SENP2SENP1
SCHEMBL19511694 0.64 PTK2 (0.30) —
SCHEMBL17878197 0.63 ALDH1A1 (0.48) ALDH1A1HSD17B10

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-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2017-05-04 — — 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-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES CHKA, PHOSPHO1, C3AR1 ALDH1A1 4540/4885HSD17B10 3435/4885SENP3 1303/4885

“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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