SCHEMBL3552480

SCHEMBL3552480

CN(C)CCNC1=CC(=O)c2sc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)nc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.53
CDC25B P30305 2/20 0.53
CDC25C P30307 2/20 0.53
MALT1 Q9UDY8 2/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
PTGS2 P35354 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3549004 0.96 CDC25A (0.57) CDC25ACDC25BCDC25CMALT1IRAK4
SCHEMBL2399863 0.91 CDC25A (0.42) CDC25ACDC25BCDC25CMALT1PTGS2
SCHEMBL3548778 0.88 CDC25A (0.60) CDC25ACDC25BCDC25CMALT1PTGS2
SCHEMBL2399162 0.87 CDC25A (0.45) CDC25ACDC25BCDC25CMALT1PTGS2
SCHEMBL3548785 0.86 MALT1 (0.43) CDC25ACDC25BCDC25CMALT1IRAK4
SCHEMBL3546750 0.85 CDC25A (0.55) CDC25ACDC25BCDC25CMALT1PTGS2
SCHEMBL3550519 0.84 CDC25A (0.49) CDC25ACDC25BCDC25CALDH1A1TSHR
SCHEMBL3556819 0.83 CDC25A (0.51) CDC25ACDC25BCDC25CALDH1A1TSHR
SCHEMBL3543263 0.82 CDC25A (0.52) CDC25ACDC25BCDC25CMALT1ALDH1A1
SCHEMBL3553179 0.81 CDC25A (0.51) CDC25ACDC25BCDC25CPTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317658-A1 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses IPSEN PHARMA S.A.S. (FR) 2010-12-16 US claimed
US-7795284-B2 4,7-dioxobenzothiazole-2-carboxamide derivatives, their preparation and their therapeutic uses IPSEN PHARMA S.A.S. (FR) 2010-09-14 US claimed
EP-1814879-B1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME SOD CONSEILS RECH APPLIC (FR) 2008-09-24 EP claimed
EP-1814879-A1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2007-08-08 EP claimed
WO-2006051202-A1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-05-18 WO claimed
US-20100317658-A1 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses IPSEN PHARMA S.A.S. (FR) 2010-12-16 US disclosed
US-7795284-B2 4,7-dioxobenzothiazole-2-carboxamide derivatives, their preparation and their therapeutic uses IPSEN PHARMA S.A.S. (FR) 2010-09-14 US disclosed
EP-1814879-B1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME SOD CONSEILS RECH APPLIC (FR) 2008-09-24 EP disclosed
US-20070244186-A1 4, 7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation and Their Therapeutic Uses IPSEN PHARMA S.A.S. (FR) 2007-10-18 US 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-20070244186-A1 4, 7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation and Their Therapeutic Uses CDC25C, CDC25A, CDC25B CDC25A 2/4885CDC25B 3/4885CDC25C 1/4885
US-20100317658-A1 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses CDC25C, CDC25A, CDC25B CDC25A 2/4885CDC25B 3/4885CDC25C 1/4885

“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.