SCHEMBL1594931

SCHEMBL1594931

CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
CETP P11597 4/20 0.42
MAPT P10636 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KLK7 P49862 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
PPARG P37231 2/20 0.38
TGFBR1 P36897 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
WNT3 P56703 1/20 0.36
SFRP1 Q8N474 1/20 0.36
CCR5 P51681 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PTGER2 P43116 1/20 0.36
PTGDR Q13258 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
SCHEMBL1594928 1.00 P2RX7 (0.43) P2RX7CETPMAPTHCRTR1HCRTR2
SCHEMBL22154819 0.88 KLK7 (0.39) HCRTR1HCRTR2KLK7
SCHEMBL12241769 0.87 TP53 (0.45) MAPTKLK7GPR119KDM4EALDH1A1
SCHEMBL26707683 0.86 VEGFA (0.41) KLK7ALDH1A1
SCHEMBL9929842 0.86 FPR2 (0.39) KLK7
SCHEMBL26439216 0.86 VEGFA (0.41) KLK7ALDH1A1
SCHEMBL9929841 0.86 FPR2 (0.39) KLK7
SCHEMBL3728443 0.85 KLK7 (0.51) CETPKLK7GPR119
SCHEMBL19419776 0.85 KLK7 (0.51) CETPKLK7GPR119
SCHEMBL15383781 0.85 KLK7 (0.51) CETPKLK7GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US disclosed
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 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 (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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR P2RX7 1130/4885CETP 1524/4885MAPT 3612/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 P2RX7 1442/4885CETP 1571/4885MAPT 4193/4885

“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.