SCHEMBL4845283

SCHEMBL4845283

CC(C)(C)COC(=O)NC(C)(C(=O)O)c1ccc(O)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.47
CHEK1 O14757 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
GRK5 P34947 1/20 0.47
MAP2K2 P36507 1/20 0.47
MAPK8 P45983 1/20 0.47
CDK8 P49336 1/20 0.47
RPS6KA3 P51812 1/20 0.47
PRKX P51817 1/20 0.47
JAK3 P52333 1/20 0.47
LIMK1 P53667 1/20 0.47
BTK Q06187 1/20 0.47
TYRO3 Q06418 1/20 0.47
MAPK14 Q16539 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
CAMK1D Q8IU85 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL4845273 1.00 FYN (0.47) FYNCHEK1PDGFRBPIM1FGFR1
SCHEMBL4680387 0.87 CHEK1 (0.41) FYNCHEK1PDGFRBPIM1FGFR1
SCHEMBL27623125 0.87 CHEK1 (0.41) FYNCHEK1PDGFRBPIM1FGFR1
SCHEMBL31144813 0.70 ALDH1A1 (0.63) FYNCHEK1PDGFRBPIM1FGFR1
SCHEMBL28322179 0.69 CYP1A2 (0.44) KMT2AMEN1CYP1A2CTSKCFTR
SCHEMBL14181799 0.68 ITGB3 (0.43) ALDH1A1GAAGFERITGA4ITGB7
SCHEMBL31329448 0.68 CYP1A2 (0.40) ALDH1A1KMT2AMEN1RECQLKDM4E
SCHEMBL8326273 0.66 ITGB3 (0.41) ALDH1A1GAAGFERITGA4ITGB7
SCHEMBL20138625 0.66 FYN (0.58) FYNCHEK1PDGFRBPIM1FGFR1
SCHEMBL31329449 0.66 CNR2 (0.32) ALDH1A1KMT2AMEN1RECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MEREK PATENT GMBH (DE) 2006-06-29 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-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof ITGA1, ITGB1, ITGA2 FYN 189/4885CHEK1 1758/4885PDGFRB 44/4885

“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.