SCHEMBL6029904

SCHEMBL6029904

CCOC(=O)Cn1ccc2cc(NC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ACSS2 Q9NR19 1/20 0.42
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
KCNQ4 P56696 2/20 0.41
KCNQ5 Q9NR82 2/20 0.41
ATM Q13315 1/20 0.41
ROCK2 O75116 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NR1I3 Q14994 1/20 0.40
PPARG P37231 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
PPARA Q07869 1/20 0.38
FPR2 P25090 2/20 0.38
CYP17A1 P05093 1/20 0.38

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
SCHEMBL6028624 0.86 ROCK2 (0.43) MAOAMAOBKCNQ3KCNQ2KCNQ4
SCHEMBL6029087 0.82 ATM (0.46) MAOAMAOBATMJAK2JAK1
SCHEMBL6028622 0.77 ROCK2 (0.36) MAOAMAOBATMROCK2
SCHEMBL26105637 0.77 ALDH1A1 (0.51) CA12CA1CA9PPARGPPARA
SCHEMBL16845649 0.76 S1PR1 (0.51) ACSS2ATM
SCHEMBL30396580 0.76 F2 (0.45) ATMCA12CA1CA9JAK2
SCHEMBL3689068 0.76 F2 (0.45) ATMCA12CA1CA9JAK2
SCHEMBL12775719 0.75 PLA2G4A (0.44) KCNQ3KCNQ2KCNQ4KCNQ5ATM
SCHEMBL6017444 0.75 ATM (0.50) MAOAMAOBKCNQ3KCNQ2KCNQ4
SCHEMBL14310475 0.75 MAPT (0.50) CA12CA1CA9JAK2JAK1

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-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG MAOA 2101/4885MAOB 1624/4885ACSS2 649/4885

“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.