SCHEMBL3550658

SCHEMBL3550658

COC1=CC(=O)c2sc(C(=O)NCCOCCNC(=O)c3nc4c(s3)C(=O)C=C(OC)C4=O)nc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CDK4 P11802 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
CDC25C P30307 1/20 0.33
DGAT1 O75907 1/20 0.33
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
ALOX15 P16050 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
MAOB P27338 2/20 0.32
TP53 P04637 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL3547085 0.79 CDC25A (0.60) CDK4CDC25ACDC25BCDC25CCA2
SCHEMBL3546656 0.78 CDC25A (0.59) SMN1; SMN2CDK4CDC25ACDC25BCDC25C
SCHEMBL2399788 0.76 NPC1 (0.55) SMN1; SMN2NPC1RAB9ACDK4ALDH1A1
SCHEMBL3550436 0.75 CDC25A (0.58) SMN1; SMN2CDK4CDC25ACDC25BCDC25C
SCHEMBL3553331 0.75 CDC25A (0.60) SMN1; SMN2NPC1RAB9ACDK4ALDH1A1
SCHEMBL5592460 0.73 CDC25A (0.36) SMN1; SMN2CDK4CDC25ACDC25BCDC25C
SCHEMBL3544438 0.71 CDC25A (0.49) CDC25ACDC25BCDC25C
SCHEMBL1917577 0.70 CDK4 (0.56) IDO1SMN1; SMN2CDK4ALDH1A1HPGD
SCHEMBL2400814 0.69 HPGD (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3548433 0.66 CDC25A (0.64) CDK4CDC25ACDC25BCDC25CCA2

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 6 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 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
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 disclosed
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 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 IDO1 1139/4885SMN1; SMN2 4692/4885NPC1 4599/4885
US-20100317658-A1 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses CDC25C, CDC25A, CDC25B IDO1 1139/4885SMN1; SMN2 4692/4885NPC1 4599/4885

“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.