SCHEMBL2772035

SCHEMBL2772035

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
ACHE P22303 1/20 0.52
MEN1 O00255 2/20 0.51
HTT P42858 1/20 0.51
PKM P14618 2/20 0.50
EPHX2 P34913 1/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7981690 0.94 ALDH1A1 (0.58) NPC1ALDH1A1KMT2AMCOLN3ACHE
SCHEMBL18794846 0.88 ALDH1A1 (0.54) NPC1ALDH1A1KMT2AMCOLN3ACHE
SCHEMBL18794843 0.88 ALDH1A1 (0.54) NPC1ALDH1A1KMT2AMCOLN3ACHE
SCHEMBL18794854 0.88 ALDH1A1 (0.54) NPC1ALDH1A1KMT2AMCOLN3ACHE
SCHEMBL5701909 0.85 NPC1 (0.58) NPC1ALDH1A1KMT2AMCOLN3ACHE
SCHEMBL6928231 0.85 NPC1 (0.58) NPC1ALDH1A1KMT2AMCOLN3ACHE
SCHEMBL5702208 0.85 NPC1 (0.58) NPC1ALDH1A1KMT2AMCOLN3ACHE
SCHEMBL16594980 0.82 ALDH1A1 (0.46) NPC1ALDH1A1KMT2AMCOLN3ACHE
SCHEMBL2770701 0.81 POLB (0.51) ALDH1A1KMT2APKMPOLB
SCHEMBL15656044 0.79 MAPT (0.54) ALDH1A1KMT2AMCOLN3MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057894-B1 Esterase genes and uses of the same SUMITOMO CHEMICAL CO (JP) 2010-04-28 EP disclosed
EP-1316610-B1 Preparation comprising an enzyme for asymmetrical hydrolysis of N-substituted C3-C4 cyclic imino-2-carboxylic acid ester and method of using the same SUMITOMO CHEMICAL CO (JP) 2006-05-03 EP disclosed
US-6936445-B2 Enzyme preparation and method of using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-30 US disclosed
EP-1201653-B1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL CO (JP) 2005-04-20 EP disclosed
US-6828129-B2 Nucleotide sequences coding polypeptide for use as tool in genetic engineering SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-12-07 US disclosed
US-6812008-B2 NUCLEOTIDE SEQUENCES CODING POLYPEPTIDE FOR USE IN THE GENERATION OF S-N-BENZYLAZETIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-02 US disclosed
US-20030124683-A1 Enzyme preparation and method of using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-03 US disclosed
EP-1316610-A1 Preparation comprising an enzyme for asymmetrical hydrolysis of N-substituted C3-C4 cyclic imino-2-carboxylic acid ester and method of using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-04 EP disclosed
US-6537790-B1 Isolated protein of given sequence which can produce N-substituted cyclic imino acids by hydrolization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
US-20020173013-A1 Esterace genes and uses of the same SUMITOMO CHEMICAL COMPANY, LIMITED 2002-11-21 US disclosed
US-20020164727-A1 Nucleotide sequences coding polypeptide for use as tool in genetic engineering SUMITOMO CHEMICAL COMPANY, LIMITED 2002-11-07 US disclosed
EP-1201653-A1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-02 EP disclosed
US-6166224-A Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-26 US disclosed
EP-1057894-A2 Esterase genes and uses of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-06 EP disclosed
EP-0957089-A1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-17 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-20020164727-A1 Nucleotide sequences coding polypeptide for use as tool in genetic engineering IMPDH2, INHA, IMPDH1 NPC1 4035/4885ALDH1A1 2545/4885KMT2A 4052/4885
US-20020173013-A1 Esterace genes and uses of the same ACOT7, COASY, IMPA1 NPC1 3580/4885ALDH1A1 707/4885KMT2A 2427/4885

“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.