SCHEMBL2549043

SCHEMBL2549043

CC(C)(C)OC(=O)N[C@H](Cc1ccc2c(c1)OCCO2)CN(C(=O)O)c1ncc(-c2ccc3cnc(F)cc3c2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.34
GSK3B P49841 4/20 0.34
PTPRB P23467 2/20 0.34
WNT1 P04628 4/20 0.33
PTPN1 P18031 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ATM Q13315 1/20 0.31
PDPK1 O15530 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PLIN1 O60240 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PLIN5 Q00G26 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABHD5 Q8WTS1 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL2549038 1.00 DYRK1A (0.34) DYRK1AGSK3BPTPRBWNT1PTPN1
SCHEMBL13286102 0.94 DYRK1A (0.34) DYRK1AGSK3BPTPRBWNT1PTPN1
SCHEMBL12241747 0.94 DYRK1A (0.34) DYRK1AGSK3BPTPRBWNT1PTPN1
SCHEMBL2547825 0.87 PTPRB (0.37) DYRK1AGSK3BPTPRBWNT1PTPN1
SCHEMBL2550309 0.87 AKT1 (0.40) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL2550295 0.87 AKT1 (0.40) DYRK1AGSK3BPTPRBWNT1ATM
SCHEMBL2547827 0.87 PTPRB (0.37) DYRK1AGSK3BPTPRBWNT1PTPN1
SCHEMBL3780133 0.86 DYRK1A (0.33) DYRK1AGSK3BPTPRBWNT1PTPN1
SCHEMBL2548917 0.86 PTPRB (0.34) DYRK1AGSK3BPTPRBWNT1PTPN1
SCHEMBL2548919 0.86 PTPRB (0.34) DYRK1AGSK3BPTPRBWNT1PTPN1

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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 DYRK1A 2916/4885GSK3B 145/4885PTPRB 879/4885

“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.