SCHEMBL6137932

SCHEMBL6137932

O=C(O)c1ccccc1NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.69
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
GLO1 Q04760 1/20 0.51
CFD P00746 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 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
SCHEMBL6583274 0.87 ALDH1A1 (0.62) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5279632 0.87 ALDH1A1 (0.79) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11432530 0.86 ACLY (0.57) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3555896 0.85 ACLY (0.56) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10054968 0.84 ACLY (0.71) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL222372 0.83 KCNA5 (0.61) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2276451 0.82 ACLY (0.71) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2275253 0.82 ACLY (1.00) ACLY
SCHEMBL7686172 0.82 ACLY (0.71) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3558665 0.82 SLC16A3 (0.54) ACLYKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017529-B2 Metformin derivatives BioPharma Works LLC (US) 2018-07-10 US disclosed
US-20170247400-A1 METFORMIN DERIVATIVES BioPharma Works LLC 2017-08-31 US disclosed
WO-2016044433-A2 METFORMIN DERIVATIVES BIOPHARMA WORKS (US) 2016-03-24 WO disclosed
CN-102395270-B Novel compounds, pharmaceutical compositions containing same, methods of use for same, and methods for preparing same FASGEN INC 2014-11-12 CN disclosed
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same FAS SECURED CREDITORS HOLDCO, LLC 2012-04-05 US disclosed
CN-102395270-A Novel compounds, pharmaceutical compositions containing same, methods of use for same, and methods for preparing same FASGEN INC 2012-03-28 CN disclosed
EP-1579198-A1 PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION Transform Pharmaceuticals, Inc. (US) 2005-09-28 EP disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
WO-2004061433-A1 PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION TRANSFORM PHARMACEUTICALS, INC. (US) 2004-07-22 WO disclosed
WO-2003082348-A1 NANOGEL NETWORKS INCLUDING POLYION POLYMER FRAGMENTS AND BIOLOGICAL AGENT COMPOSITIONS THEREOF SUPRATEK PHARMA INC. (CA) 2003-10-09 WO disclosed
EP-0308820-B1 ZINC, LEAD, AND/OR CALCIUMSALTS OF CARBOXYLIC ACIDS AND THEIR USE AS ANTICORROSIVE AGENTS BASF Lacke + Farben AG (DE) 1991-11-27 EP disclosed
EP-0308820-A1 Zinc, lead, and/or calciumsalts of carboxylic acids and their use as anticorrosive agents BASF Lacke + Farben AG (DE) 1989-03-29 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 (4 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-10017529-B2 Metformin derivatives SLC5A2, SLC5A1, GLP1R ACLY 494/4885KDM4E 1837/4885ALDH1A1 937/4885
US-20170247400-A1 METFORMIN DERIVATIVES SLC5A2, SLC5A1, GLP1R ACLY 494/4885KDM4E 1837/4885ALDH1A1 937/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE ACLY 1839/4885KDM4E 733/4885ALDH1A1 747/4885
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same LCAT, DGAT2, SOAT2 ACLY 485/4885KDM4E 1933/4885ALDH1A1 1533/4885

“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.