SCHEMBL6028624

SCHEMBL6028624

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
LMNA P02545 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL6017444 0.90 ATM (0.50) ROCK2ATMMAOAMAOBKCNQ3
SCHEMBL6029904 0.86 MAOA (0.43) ROCK2ATMJAK2JAK1JAK3
SCHEMBL6029087 0.81 ATM (0.46) ATMPOLBJAK2JAK1JAK3
SCHEMBL3663317 0.80 NOTUM (0.46) MAOBLMNA
SCHEMBL6028622 0.78 ROCK2 (0.36) ROCK2ATMMAOAMAOBLMNA
SCHEMBL3689068 0.75 F2 (0.45) ATMJAK2JAK1JAK3PDE4B
SCHEMBL30396580 0.75 F2 (0.45) ATMJAK2JAK1JAK3PDE4B
SCHEMBL6017287 0.75 KMT2A (0.34) ROCK2BRD4CREBBPFPR2
SCHEMBL12775719 0.75 PLA2G4A (0.44) ATMJAK2JAK1KCNQ3KCNQ2
SCHEMBL20037274 0.74 ALDH1A1 (0.50) ATMPOLB

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 ROCK2 1903/4885ATM 3382/4885POLB 2773/4885

“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.