SCHEMBL4817596

SCHEMBL4817596

CC(C)(C)OC(=O)CNC(=O)c1cccc2c1CCC2=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.50
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
KEAP1 Q14145 1/20 0.39
KCNA5 P22460 1/20 0.38
MAPT P10636 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRB3 P13945 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A4 P31645 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FAP Q12884 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
SCHEMBL7842881 0.88 ALDH1A1 (0.46) ALDH1A1GAAKEAP1TSHR
SCHEMBL4818928 0.80 PTPRC (0.43) PTPRCALDH1A1MAPTL3MBTL1
SCHEMBL4808362 0.79 ALDH1A1 (0.43) PTPRCALDH1A1GAAKEAP1ADRB2
SCHEMBL7844879 0.73 CHRNB2 (0.60) ALDH1A1GAAL3MBTL1
SCHEMBL28212969 0.73 CHRM1 (0.49) ALDH1A1
SCHEMBL26270328 0.73 PLK1 (0.54) PTPRCALDH1A1L3MBTL1FAP
SCHEMBL3309351 0.72 ALDH1A1 (0.51) PTPRCALDH1A1
SCHEMBL7406575 0.71 PTPRC (0.50) PTPRCALDH1A1GAAMAPTTSHR
SCHEMBL31305912 0.71 PTPRC (0.50) PTPRCALDH1A1GAAMAPTTSHR
SCHEMBL6084716 0.71 PTPRC (0.62) PTPRCGAAL3MBTL1

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 PTPRC 336/4885ALDH1A1 3901/4885GAA 1477/4885

“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.