SCHEMBL2770701

SCHEMBL2770701

COC(=O)C1CCN1S(=O)(=O)c1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KCNQ1 P51787 1/20 0.49
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.44
MMP2 P08253 1/20 0.44
ANPEP P15144 1/20 0.44
MMP1 P03956 2/20 0.43
ADAM17 P78536 2/20 0.43
AKR1C3 P42330 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL5701852 0.88 POLB (0.49) POLBKCNQ1HCRTR1HCRTR2TDP1
SCHEMBL5702166 0.88 POLB (0.49) POLBKCNQ1HCRTR1HCRTR2TDP1
SCHEMBL1398983 0.87 SMN1; SMN2 (0.49) POLBKCNQ1HCRTR1HCRTR2TDP1
SCHEMBL2772035 0.81 NPC1 (0.54) POLBALDH1A1PKMKMT2A
SCHEMBL2769758 0.81 MMP2 (0.65) TDP1ALDH1A1MMP2ANPEPMMP1
SCHEMBL14265258 0.78 CASP3 (0.49) POLBHCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL20291412 0.77 HCRTR1 (0.60) POLBHCRTR1HCRTR2CASP3
SCHEMBL6229896 0.76 MMP1 (0.69) HCRTR1HCRTR2PKMMMP2MMP1
SCHEMBL7981690 0.75 ALDH1A1 (0.58) POLBALDH1A1PKMKMT2ACASP3
SCHEMBL1398985 0.75 PKM (0.46) POLBKCNQ1HCRTR1HCRTR2ALDH1A1

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 POLB 438/4885KCNQ1 4703/4885HCRTR1 4149/4885
US-20020173013-A1 Esterace genes and uses of the same ACOT7, COASY, IMPA1 POLB 2687/4885KCNQ1 4328/4885HCRTR1 4317/4885

“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.