SCHEMBL2059524

SCHEMBL2059524

NC(=O)N(C1=NOOC=C1)S(=O)(=O)c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LOX P28300 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PTGER2 P43116 1/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NFE2L2 Q16236 1/20 0.30
KAT6A Q92794 1/20 0.30

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
SCHEMBL9455586 0.80 PKM (0.39) POLBPKMNPC1RAB9AMAOA
SCHEMBL9750530 0.70 PKM (0.40) POLBPKMNPC1RAB9AMAOA
SCHEMBL9634028 0.68 ALDH1A1 (0.41) POLBPKMNPC1RAB9AMAOA
SCHEMBL11005150 0.64 KMT2A (0.49) NPC1RAB9AKDM4E
SCHEMBL1879179 0.61 ALDH1A1 (0.52) NPC1RAB9AKDM4E
SCHEMBL761373 0.61 TSHR (0.50) PKMNPC1RAB9AMAOAMAOB
SCHEMBL30498943 0.61 TSHR (0.50) PKMNPC1RAB9AMAOAMAOB
SCHEMBL10679007 0.60 NPC1 (0.43) PKMNPC1RAB9APTGDR2KDM4E
Hydrochloric Acid SCHEMBL28556483 0.59 TSHR (0.49) PKMNPC1RAB9AMAOAMAOB
SCHEMBL729640 0.59 L3MBTL1 (0.50) POLBPKMKDM4EKAT6A

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-7968747-B2 Process for preparing 2-aminooxyethanol BAYER CROPSCIENCE AG (DE) 2011-06-28 US disclosed
US-20100048953-A1 Process for Preparing 2-Aminooxyethanol BAYER CROPSCIENCE AG (DE) 2010-02-25 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-20100048953-A1 Process for Preparing 2-Aminooxyethanol GNE, LAGE3, GALE POLB 653/4885PKM 187/4885NPC1 3837/4885

“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.