SCHEMBL4241082

SCHEMBL4241082

COC1=CC(=O)c2sc(-c3ccc(F)cc3)nc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.52
CDK4 P11802 2/20 0.43
APP P05067 1/20 0.41
ALOX5 P09917 1/20 0.39
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4860626 0.90 PTGS2 (0.52) PTGS2CDK4APPALOX5TDP2
SCHEMBL1918089 0.81 MEN1 (0.38) PTGS2CDK4TDP2NSD2IDO1
SCHEMBL12973015 0.78 PTGS2 (0.54) PTGS2APPALOX5IDO1TDO2
SCHEMBL2399813 0.77 PTGS2 (0.50) PTGS2CDK4ALOX5TDP2NSD2
SCHEMBL1916829 0.76 TDP2 (0.39) PTGS2CDK4TDP2NSD2IDO1
SCHEMBL1917577 0.74 CDK4 (0.56) PTGS2CDK4TDP2NSD2IDO1
SCHEMBL1917004 0.72 CDC25A (0.64) PTGS2CDK4ALDH1A1GAA
SCHEMBL13639889 0.72 PTGS2 (0.49) PTGS2ALOX5IDO1TDO2PTGDR2
SCHEMBL1918020 0.72 TDP2 (0.42) PTGS2CDK4TDP2NSD2IDO1
SCHEMBL10506565 0.72 PTGS2 (0.78) PTGS2APPALOX5PTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFICQUES 2009-10-08 US disclosed
EP-1641453-B1 PRODUCT CONTAINING AT LEAST ONE PHOSPHATASE CDC25 INHIBITOR COMBINED WITH AT LEAST ONE OTHER ANTICANCER AGENT IPSEN PHARMA (FR) 2009-08-19 EP disclosed
US-20090137596-A1 G-PROTEIN INHIBITOR SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-05-28 US disclosed
US-7335674-B2 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2008-02-26 US disclosed
EP-1792905-A1 Product containing at least one phosphatase CDC25 inhibitor combined with at least one other anticancer agent Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-06-06 EP disclosed
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-12-14 US disclosed
US-20060135573-A1 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof IPSEN PHARMA S.A.S. (FR) 2006-06-22 US disclosed
EP-1641453-A2 PRODUCT CONTAINING AT LEAST ONE PHOSPHATASE CDC25 INHIBITOR COMBINED WITH AT LEAST ONE OTHER ANTICANCER AGENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-04-05 EP disclosed
EP-1641789-A2 BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-04-05 EP disclosed
WO-2005000843-A2 BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-01-06 WO disclosed
WO-2005000852-A2 PRODUCT CONTAINING AT LEAST ONE PHOSPHATASE CDC25 INHIBITOR COMBINED WITH AT LEAST ONE OTHER ANTICANCER AGENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2005-01-06 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 (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-20060135573-A1 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof CDC25A, CDC25C, CDC25B PTGS2 1958/4885CDK4 10/4885APP 4832/4885
US-20090137596-A1 G-PROTEIN INHIBITOR CDC25A, CDC25C, CDC25B PTGS2 2459/4885CDK4 202/4885APP 4659/4885
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent CDC25A, CDC25C, CDC25B PTGS2 3022/4885CDK4 228/4885APP 4697/4885
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent CDC25A, CDC25C, CDC25B PTGS2 3151/4885CDK4 181/4885APP 4699/4885

“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.