SCHEMBL6380797

SCHEMBL6380797

[CH2]NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
EPHX2 P34913 1/20 0.58
FABP5 Q01469 3/20 0.50
FABP7 O15540 2/20 0.50
CASP3 P42574 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MDM4 O15151 1/20 0.46
TP53 P04637 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
SCHEMBL21332462 0.86 KMT2A (0.66) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL30238049 0.85 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL1800381 0.85 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL1020573 0.84 KMT2A (0.61) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL31173373 0.83 KMT2A (0.62) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL31031957 0.83 KMT2A (0.67) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL401725 0.83 KMT2A (0.67) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL411680 0.83 KMT2A (0.62) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29728458 0.83 KMT2A (0.62) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL12866016 0.83 KMT2A (0.62) KMT2AEPHX2FABP5FABP7CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
EP-1301527-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2003-04-16 EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US claimed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
CN-106589111-B Synthetic method of bremer langdan 江苏开元医药化工有限公司 2020-12-29 CN disclosed
CN-101142228-A Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity POLYPHOR LTD (CH) 2008-03-12 CN disclosed
US-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed
EP-1330550-A2 ATROPISOMERS OF ASYMMETRIC XANTHENE FLUORESCENT DYES AND METHODS OF DNA SEQUENCING AND FRAGMENT ANALYSIS Applera Corporation (US) 2003-07-30 EP disclosed
EP-1301527-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2003-04-16 EP disclosed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2002036832-A2 ATROPISOMERS OF ASYMMETRIC XANTHENE FLUORESCENT DYES AND METHODS OF DNA SEQUENCING AND FRAGMENT ANALYSIS APPLERA CORPORATION (US) 2002-05-10 WO disclosed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 WO disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO 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-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, TMPRSS15, TMPRSS11D KMT2A 3141/4885EPHX2 3195/4885FABP5 1652/4885
US-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 KMT2A 4485/4885EPHX2 3256/4885FABP5 4246/4885

“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.