SCHEMBL17312435

SCHEMBL17312435

CN1C(=O)[C@@H](N(C(=O)O)C(C)(C)C)COc2ccc(C(=O)N3CCOCC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
MYC P01106 1/20 0.41
CNR1 P21554 1/20 0.41
GAA P10253 1/20 0.40
B3GNT2 Q9NY97 1/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
DNMT1 P26358 1/20 0.38
PTPN7 P35236 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL17312438 1.00 HPGD (0.44) HPGDHSP90AA1HSP90AB1MYCCNR1
SCHEMBL18409597 0.83 RIPK1 (0.41) HPGDGAATSHR
SCHEMBL18409596 0.83 RIPK1 (0.41) HPGDGAATSHR
SCHEMBL21111285 0.82 RIPK1 (0.41)
SCHEMBL21111282 0.82 RIPK1 (0.41)
SCHEMBL17312429 0.80 KIF11 (0.40)
SCHEMBL17312431 0.80 KIF11 (0.40)
SCHEMBL15964769 0.80 HPGD (0.51) HPGDHSP90AA1HSP90AB1MYCCNR1
Hydrochloric Acid SCHEMBL30986577 0.79 HPGD (0.50) HPGDHSP90AA1HSP90AB1MYCCNR1
SCHEMBL15957108 0.79 RIPK1 (0.49) HPGDMYCPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 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-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 HPGD 3884/4885HSP90AA1 2919/4885HSP90AB1 2810/4885

“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.