SCHEMBL2404200

SCHEMBL2404200

CN(C1CCN1C1=CC(=O)c2sc(C(=O)N3CCN(S(C)(=O)=O)CC3)nc2C1=O)C1CCN1C1=CC(=O)c2sc(C(=O)N3CCN(S(C)(=O)=O)CC3)nc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.34
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 2/20 0.32
GAA P10253 2/20 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
SCHEMBL2399165 0.87 ALDH1A1 (0.34) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL2399866 0.85 ALDH1A1 (0.33) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL2399861 0.83 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10KDM4ENPSR1
SCHEMBL2400571 0.83 LMNA (0.40) ALDH1A1HPGDTSHRKDM4ENPSR1
SCHEMBL2398553 0.82 HPGD (0.34) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL2399179 0.77 MAOB (0.44) ALDH1A1NPSR1MEN1KMT2AHTT
SCHEMBL3546750 0.75 CDC25A (0.55) SETD7ALDH1A1HPGDTSHRHSD17B10
SCHEMBL2404197 0.73 CDC25A (0.44) SETD7ALDH1A1HPGDTSHRHSD17B10
SCHEMBL2401464 0.71 POLB (0.40) ALDH1A1HPGDTSHRCYP1A2CYP3A4
SCHEMBL2401288 0.71 CDC25A (0.43) MEN1KMT2ATDP1

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 5 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

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 SETD7 4307/4885ALDH1A1 2949/4885HPGD 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.