SCHEMBL4368478

SCHEMBL4368478

CN(NC(=O)OC(C)(C)C)c1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
AKT1 P31749 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
FSCN1 Q16658 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL4370713 0.89 FSCN1 (0.49) IDO1GAAALDH1A1KDM4EMAPT
SCHEMBL15135598 0.87 AKT1 (0.39) HPGDAKT1CA12CA1CA2
SCHEMBL4632296 0.83 CA12 (0.38) IDO1GAAALDH1A1KDM4EMAPT
SCHEMBL15135297 0.78 AKT1 (0.50) GAAALDH1A1KDM4EMAPTPKM
SCHEMBL4364528 0.75 AKT1 (0.40) AKT1
SCHEMBL4376494 0.75 AKT1 (0.43) AKT1CA12CA1CA2CA9
SCHEMBL28738831 0.73 PDK1 (0.56) IDO1GAAALDH1A1MAPTHPGD
SCHEMBL12060874 0.72 AKT1 (0.48) GAAAKT1NFKB1NFKB2RELA
SCHEMBL31738180 0.71 MAPT (0.53) IDO1GAAALDH1A1MAPTPDK1
SCHEMBL4365144 0.71 MAPT (0.53) IDO1GAAALDH1A1MAPTPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US 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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 IDO1 3478/4885GAA 423/4885ALDH1A1 105/4885

“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.