SCHEMBL8269554

SCHEMBL8269554

CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALPL P05186 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL27523224 0.88 ALDH1A1 (0.55) GUSBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8269541 0.86 L3MBTL1 (0.65) HIF1AKMT2AGAAHSD17B1HSD17B2
SCHEMBL8425835 0.84 MEN1 (0.56) GUSBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7015594 0.82 GUSB (0.66) GUSBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL28270327 0.81 GUSB (0.56) GUSBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15660019 0.81 GUSB (0.56) GUSBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8422362 0.78 SMN1; SMN2 (0.72) GUSBALDH1A1KMT2AGAAMEN1
SCHEMBL8426004 0.75 GAA (0.57) GUSBKMT2AGAAMEN1SMN1; SMN2
SCHEMBL15658306 0.75 GUSB (0.56) GUSBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15232992 0.74 PKM (0.50) ALDH1A1MAPK1KMT2AMEN1L3MBTL1

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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 GUSB 218/4885ALDH1A1 3287/4885CYP1A2 2611/4885

“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.