SCHEMBL115661

SCHEMBL115661

COc1ccc(OC)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.60
TP53 P04637 1/20 0.60
KMT2A Q03164 6/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 6/20 0.58
ALDH1A1 P00352 4/20 0.58
POLB P06746 2/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 5/20 0.55
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL29991362 1.00 GAA (0.60) GAATP53KMT2ANPSR1MAPT
SCHEMBL2589170 0.88 ALDH1A1 (0.63) GAAKMT2ANPSR1MAPTALDH1A1
SCHEMBL28467109 0.88 GAA (0.47) GAATP53KMT2ANPSR1MAPT
SCHEMBL28158035 0.88 GAA (0.47) GAATP53KMT2ANPSR1MAPT
SCHEMBL11660471 0.85 MAPT (0.70) GAATP53KMT2ANPSR1MAPT
SCHEMBL28020299 0.85 GAA (0.57) GAATP53KMT2ANPSR1MAPT
SCHEMBL17662315 0.85 KMT2A (0.60) GAATP53KMT2ANPSR1MAPT
SCHEMBL4568017 0.85 GAA (0.50) GAAKMT2ANPSR1MAPTPOLB
SCHEMBL24732039 0.84 F10 (0.50) GAATP53KMT2ANPSR1MAPT
SCHEMBL14598625 0.84 TDP1 (0.51) KMT2AMAPTALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
CN-102439000-A Benzamide and naphthamide derivatives inhibiting nuclear factor- kap pa (b) - (nf-kb) PROFECTUS BIOSCIENCES INC (US) 2012-05-02 CN disclosed
CN-102414190-A Inhibitors of NF-kB PROFECTUS BIOSCIENCES INC 2012-04-11 CN disclosed
EP-2424850-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) Profectus Biosciences, Inc. (US) 2012-03-07 EP disclosed
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US disclosed
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US disclosed
EP-2411376-A1 INHIBITORS OF NF-KB Profectus Biosciences, Inc. (US) 2012-02-01 EP disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
WO-2010127058-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) PROFECTUS BIOSCIENCES, INC. (US) 2010-11-04 WO disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 WO disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 WO 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 (2 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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG GAA 1468/4885TP53 980/4885KMT2A 2968/4885
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) NFKBIA, IKBKB, NFKB1 GAA 989/4885TP53 2427/4885KMT2A 468/4885

“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.