SCHEMBL2399472

SCHEMBL2399472

COc1ccc2c(c1)CCCN2C(=O)c1nc2c(s1)C(=O)C=C(N1CCC1N(C)C1CCN1C1=CC(=O)c3sc(C(=O)N4CCCc5cc(OC)ccc54)nc3C1=O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TNKS2 Q9H2K2 1/20 0.39
TSHR P16473 8/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 7/20 0.37
NOTUM Q6P988 1/20 0.37
MAPT P10636 5/20 0.36
TP53 P04637 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL2401272 0.81 ALDH1A1 (0.47) HSD17B10CA1CA2CA9CA14
SCHEMBL2399469 0.79 HSD17B10 (0.43) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL3546262 0.79 CDC25A (0.46) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL2400032 0.78 MAPT (0.46) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL2401464 0.76 POLB (0.40) TSHRSMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL2404462 0.76 CDC25A (0.45) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL2399165 0.74 ALDH1A1 (0.34) HSD17B10TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL2399179 0.72 MAOB (0.44) ALDH1A1NPSR1LMNANPC1RAB9A
SCHEMBL14317930 0.64 HSD17B10 (0.59) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL2203840 0.64 NOTUM (0.83) HSD17B10PDK1PDK2PDK3PDK4

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 HSD17B10 1950/4885PDK1 402/4885PDK2 548/4885

“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.