SCHEMBL6928231

SCHEMBL6928231

O=C(O)C1CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 3/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
MEN1 O00255 2/20 0.53
ACHE P22303 1/20 0.53
HTT P42858 1/20 0.52
PKM P14618 1/20 0.51
EPHX2 P34913 1/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL5702208 1.00 NPC1 (0.58) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL5701909 1.00 NPC1 (0.58) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL8882067 0.93 ALDH1A1 (0.59) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL5065638 0.93 ALDH1A1 (0.59) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL6926208 0.93 ALDH1A1 (0.59) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL18337954 0.92 ALDH1A1 (0.65) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL18337953 0.92 ALDH1A1 (0.65) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL18794875 0.86 ALDH1A1 (0.56) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL6096659 0.86 ALDH1A1 (0.56) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL6096663 0.86 ALDH1A1 (0.56) NPC1ALDH1A1KMT2AMCOLN3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170287-B1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACIDS KANEKA CORP (JP) 2003-12-03 EP disclosed
US-6617461-B2 Cyclizing an optically active 4-substituted amino-2-halobutyric acid containing substituted oxycarbonyl or sulfonyl type protective group in presence of a base KANEKA CORPORATION (JP) 2003-09-09 US disclosed
EP-1321454-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL Kaneka Corporation (JP) 2003-06-25 EP disclosed
US-20030045730-A1 Process for preparation of optically active n-substituted azetidine-2-carboxylic acids KANEKA CORPORATION (JP) 2003-03-06 US disclosed
US-6515179-B2 Reacting nitrobenzenesulfonyl group containing compound contacting with alkali metal alkoxide KANEKA CORPORATION (JP) 2003-02-04 US disclosed
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL KANEKA CORPORATION (JP) 2003-01-09 US disclosed
EP-1170287-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACIDS KANEKA CORPORATION (JP) 2002-01-09 EP 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 (2 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-20030045730-A1 Process for preparation of optically active n-substituted azetidine-2-carboxylic acids NISCH, ADCY9, ALAD NPC1 2184/4885ALDH1A1 442/4885KMT2A 2398/4885
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL NAAA, TST, AADAC NPC1 4479/4885ALDH1A1 2030/4885KMT2A 82/4885

“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.