SCHEMBL6017444

SCHEMBL6017444

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
ROCK2 O75116 1/20 0.45
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
FPR2 P25090 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NTSR1 P30989 3/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HDAC6 Q9UBN7 3/20 0.36
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL6028624 0.90 ROCK2 (0.43) ATMROCK2KCNQ3KCNQ2KCNQ4
SCHEMBL3663317 0.83 NOTUM (0.46) MAOBKDM4ELMNATHRB
SCHEMBL14876001 0.82 ATM (0.52) ATMROCK2ALOX5EPHX2KCNQ3
SCHEMBL30366867 0.80 PIK3CD (0.41) ATMROCK2MAOAMAOBLMNA
SCHEMBL29245694 0.80 PIK3CD (0.41) ATMROCK2MAOAMAOBLMNA
SCHEMBL6029964 0.80 ATM (0.58) ATMALOX5EPHX2KCNQ3KCNQ2
SCHEMBL6017287 0.77 KMT2A (0.34) ROCK2FPR2BRD4CREBBP
SCHEMBL19674140 0.77 ATM (0.57) ATMNTSR1KDM4EMTNR1AMTNR1B
SCHEMBL14876002 0.76 ATM (0.45) ATMROCK2FPR2NTSR1KDM4E
SCHEMBL14093279 0.76 ATM (0.54) ATMEPHX2KCNQ3KCNQ2KCNQ4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO 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 ATM 3382/4885ROCK2 1903/4885ALOX5 1539/4885

“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.