SCHEMBL2772038

SCHEMBL2772038

COC(=O)C1(S(=O)(=O)c2ccccc2)CCN1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 2/20 0.39
PKM P14618 1/20 0.39
MMP9 P14780 8/20 0.38
MMP13 P45452 8/20 0.38
MMP1 P03956 7/20 0.38
ADAM17 P78536 5/20 0.38
APP P05067 4/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5701916 0.85 CYP2D6 (0.42) GAACYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL5702210 0.85 CYP2D6 (0.42) GAACYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2770703 0.79 CYP3A4 (0.42) GAAMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2105715 0.71 APP (0.40) GAACYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL5701856 0.70 CYP2D6 (0.43) GAAMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL5702168 0.70 CYP2D6 (0.43) GAAMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL4004910 0.70 CYP3A4 (0.60) GAAMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL8502526 0.70 MMP1 (0.46) MAPTMMP9MMP13MMP1ADAM17
SCHEMBL28390212 0.69 GAA (0.37) GAACYP2D6PKMMMP9MMP13
SCHEMBL8501553 0.68 MMP2 (0.37) MAPTCYP3A4CYP2C9CYP2C19CYP2D6

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 11 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
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-1057894-A2 Esterase genes and uses of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-06 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 GAA 2864/4885MAPT 4852/4885CYP3A4 4456/4885
US-20020173013-A1 Esterace genes and uses of the same ACOT7, COASY, IMPA1 GAA 2267/4885MAPT 4879/4885CYP3A4 2758/4885

“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.