SCHEMBL2399165

SCHEMBL2399165

CN(C1CCN1C1=CC(=O)c2sc(C(=O)N3CCOCC3)nc2C1=O)C1CCN1C1=CC(=O)c2sc(C(=O)N3CCOCC3)nc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 5/20 0.33
HPGD P15428 4/20 0.33
KMT2A Q03164 4/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 3/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR1 P21554 1/20 0.32
ALOX15 P16050 2/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL2399866 0.96 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL2404200 0.87 SETD7 (0.34) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL2399861 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AHSD17B10TSHR
SCHEMBL2400571 0.85 LMNA (0.40) ALDH1A1KDM4EHPGDKMT2ATSHR
SCHEMBL2398553 0.83 HPGD (0.34) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL2401272 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL2399179 0.79 MAOB (0.44) ALDH1A1KMT2AMEN1CNR1ALOX15
SCHEMBL2400814 0.75 HPGD (0.44) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL3549004 0.74 CDC25A (0.57) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL2401464 0.73 POLB (0.40) ALDH1A1HPGDKMT2ATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US claimed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP claimed
US-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US disclosed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP disclosed
EP-1831209-A2 CDC25 PHOSPHATASE INHIBITORS Société de Conseils de Recherches et d'Applications Scientifiques SAS (S.C.R.A.S) (FR) 2007-09-12 EP disclosed
WO-2006067311-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-06-29 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 (1 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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES CDC25C, CDC25A, CDC25B ALDH1A1 2949/4885KDM4E 875/4885HPGD 2736/4885

“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.