SCHEMBL3371945

SCHEMBL3371945

CCOCCOc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
TSHR P16473 2/20 0.49
MMP3 P08254 2/20 0.48
THRA P10827 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NCF1 P14598 2/20 0.44
MMP9 P14780 1/20 0.44
ADAM17 P78536 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PTPN1 P18031 1/20 0.43
RECQL P46063 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL17167339 0.98 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3369633 0.92 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL3401745 0.88 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4059980 0.86 GAA (0.54) CA12CA1CA2CA7CA9
SCHEMBL23536326 0.85 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL29771215 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1189822 0.84 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL232895 0.84 TSHR (0.68) CA12CA1CA2CA7CA9
SCHEMBL1169534 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL6367290 0.83 MMP3 (0.51) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO disclosed
US-7223779-B2 Azasugar derivative and drug containing the same as the active ingredient CARNA BIOSCIENCES INC. (JP) 2007-05-29 US disclosed
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-20050154017-A1 Novel azasugar derivative and drug containing the same as the active ingredient CARNA BIOSCIENCES INC. (JP) 2005-07-14 US disclosed
US-20050137221-A1 Novel azasugar derivative and drug containing the same as the active ingredient TSUKIDA TAKAHIRO (JP) 2005-06-23 US disclosed
EP-1516872-A1 NOVEL AZASUGAR DERIVATIVE AND DRUG CONTAINING THE SAME AS THE ACTIVE INGREDIENT Carna Biosciences Inc. (JP) 2005-03-23 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 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-20050154017-A1 Novel azasugar derivative and drug containing the same as the active ingredient CDK8, DUT, CDK7 CA12 4135/4885CA1 4554/4885CA2 4105/4885
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 CA12 993/4885CA1 2552/4885CA2 3594/4885
US-20050137221-A1 Novel azasugar derivative and drug containing the same as the active ingredient CDK8, DUT, CDK7 CA12 4135/4885CA1 4554/4885CA2 4105/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 CA12 767/4885CA1 2394/4885CA2 2937/4885

“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.