SCHEMBL8236809

SCHEMBL8236809

COc1ccc(C)nc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.40
ATR Q13535 1/20 0.39
LCK P06239 2/20 0.38
CTSL P07711 1/20 0.38
BRD4 O60885 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
LMNA P02545 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
NR1I2 O75469 1/20 0.37
GRM5 P41594 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
CYP17A1 P05093 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
SCHEMBL4076665 0.81 KDM4E (0.46) ALDH1A1GAAKDM4ETSHRLMNA
SCHEMBL13447992 0.81 ALDH1A1 (0.41) ALDH1A1GAAKDM4ETSHRATR
SCHEMBL10330649 0.78 CYP17A1 (0.39) GAAATRLCKBRD4MAPKAPK2
SCHEMBL28421332 0.77 MAPKAPK2 (0.41) ALDH1A1LCKBRD4MAPKAPK2AAK1
SCHEMBL14380647 0.77 MAPKAPK2 (0.38) GAAATRLCKBRD4MAPKAPK2
SCHEMBL29448793 0.77 MAPKAPK2 (0.41) ALDH1A1LCKBRD4MAPKAPK2AAK1
SCHEMBL3342811 0.76 PDE4A (0.45) ALDH1A1GAAKDM4ETSHRCTSL
SCHEMBL7418181 0.75 ATR (0.47) ALDH1A1GAAKDM4EATRAAK1
SCHEMBL30427130 0.75 ATR (0.47) ALDH1A1GAAKDM4EATRAAK1
SCHEMBL264062 0.72 ATR (0.44) ATRLCKBRD4MAPKAPK2NR1I2

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-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ALDH1A1 1037/4885GAA 2204/4885KDM4E 2385/4885

“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.