SCHEMBL6017287

SCHEMBL6017287

CC(C(=O)O)n1ccc2cc(NCC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
TP53 P04637 3/20 0.34
CREBBP Q92793 1/20 0.34
ROCK2 O75116 1/20 0.34
PTPRC P08575 2/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL3663317 0.81 NOTUM (0.46) KMT2ATP53
SCHEMBL6017444 0.77 ATM (0.50) CREBBPROCK2FPR2BRD4
SCHEMBL6017417 0.77 TP53 (0.37) KMT2ATP53FPR2
SCHEMBL6028624 0.75 ROCK2 (0.43) CREBBPROCK2FPR2BRD4
SCHEMBL30366867 0.74 PIK3CD (0.41) KMT2AROCK2
SCHEMBL29245694 0.74 PIK3CD (0.41) KMT2AROCK2
SCHEMBL5406287 0.72 ALDH1A1 (0.49) KMT2APTPRC
SCHEMBL1688815 0.72 POLB (0.47) KMT2APTPRCCTNNB1TCF7L2FPR3
SCHEMBL5692596 0.69 POLB (0.39) PTPRCFPR3FPR2
SCHEMBL7383780 0.69 FFAR1 (0.49) KMT2ACTNNB1TCF7L2

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 KMT2A 3871/4885TP53 1462/4885CREBBP 1141/4885

“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.