SCHEMBL6097759

SCHEMBL6097759

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ncccc3C(=O)OC(C)(C)C)c2)=C(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HTT P42858 2/20 0.36
CFD P00746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RXFP1 Q9HBX9 2/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
LRRK2 Q5S007 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 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
SCHEMBL6096340 0.89 CFD (0.45) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL6097641 0.84 PKM (0.43) HTTCFDKDM4EKMT2AMEN1
SCHEMBL6095446 0.83 GCK (0.37) HTTCFDKDM4ERXFP1KMT2A
SCHEMBL6097089 0.82 HTT (0.39) HTTCFDKDM4EKMT2AALDH1A1
SCHEMBL6094733 0.82 ALDH1A1 (0.40) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL6095611 0.81 NPC1 (0.47) CFDRXFP1KMT2AMEN1ALDH1A1
SCHEMBL6095715 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL6096656 0.80 KDM4E (0.38) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL6096571 0.79 GAA (0.51) KDM4EKMT2ALRRK2POLBSMN1; SMN2
SCHEMBL6096496 0.78 SORT1 (0.40) HTTCFDKDM4ELRRK2ALDH1A1

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
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 EP 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB PDE4A 4132/4885PDE4B 3638/4885PDE4C 4428/4885

“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.