SCHEMBL17634288

SCHEMBL17634288

CC(C)(C)OC(=O)C(Br)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
MAPT P10636 1/20 0.39
PTPN1 P18031 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
ACP3 P15309 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
FFAR1 O14842 3/20 0.37
APP P05067 2/20 0.36
TRPV1 Q8NER1 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
SCHEMBL27395438 0.83 APP (0.41) MAPTAPP
SCHEMBL840763 0.83 GSK3B (0.47) GSK3BCES2CES1AKR1C3AKR1C2
SCHEMBL17634101 0.81 NPSR1 (0.47) GSK3BCES2CES1MAPTPTPN1
SCHEMBL20166011 0.80 LMNA (0.36) CES2CES1MAPTAPP
SCHEMBL355454 0.80 CES2 (0.53) CES2CES1MAPT
SCHEMBL8472341 0.79 NPSR1 (0.47) GSK3BCES2CES1MAPTACP3
SCHEMBL3138807 0.79 MAPT (0.40) MAPTAPP
SCHEMBL17634261 0.78 P2RX7 (0.37)
SCHEMBL9280969 0.78 GSK3B (0.52) GSK3BCES2CES1PTPN1AKR1C3
SCHEMBL4977115 0.77 CES2 (0.43) CES2CES1AKR1C3AKR1C2ACP3

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
EP-3197900-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-02-12 EP disclosed
US-9969752-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
EP-3197900-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP disclosed
WO-2016049099-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO 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-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 GSK3B 1132/4885CES2 3080/4885CES1 959/4885

“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.