SCHEMBL20162157

SCHEMBL20162157

CC(C)(C)OC(=O)n1cnc(NC(=O)c2ccc3c(c2)CCN(C(=O)O)C3)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
HDAC6 Q9UBN7 3/20 0.45
HDAC8 Q9BY41 1/20 0.45
NR1H2 P55055 1/20 0.43
WNT1 P04628 2/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
MAP3K5 Q99683 7/20 0.40
TAS2R8 Q9NYW2 1/20 0.40
TMPRSS2 O15393 4/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
HDAC1 Q13547 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
SCHEMBL20364362 0.94 ESR2 (0.55) ESR2HDAC6HDAC8NR1H2WNT1
SCHEMBL20162154 0.87 MAP3K5 (0.37) ESR2NR1H2MAP3K5
SCHEMBL20364364 0.82 ESR2 (0.53) ESR2HDAC6HDAC8NR1H2WNT1
SCHEMBL20364366 0.81 MAPT (0.41) ESR2NR1H2MAP3K5
SCHEMBL20364363 0.81 ESR2 (0.48) ESR2HDAC6HDAC8NR1H2MAP3K5
SCHEMBL20364361 0.77 ESR2 (0.55) ESR2HDAC6HDAC8NR1H2WNT1
SCHEMBL20364337 0.77 ESR2 (0.46) ESR2HDAC6HDAC8NR1H2WNT1
SCHEMBL20169969 0.77 ESR2 (0.46) ESR2HDAC6HDAC8NR1H2WNT1
SCHEMBL20364347 0.76 TAS2R8 (0.49) ESR2HDAC6HDAC8NR1H2MAP3K5
SCHEMBL20170243 0.76 ESR2 (0.47) ESR2NR1H2MAP3K5TAS2R8

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
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 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 (2 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-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 ESR2 620/4885HDAC6 188/4885HDAC8 236/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 ESR2 620/4885HDAC6 188/4885HDAC8 236/4885

“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.