SCHEMBL6094574

SCHEMBL6094574

COC1=C(OC)C(=O)C(Cc2ccc(OCc3cccnc3)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)=C(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.56
SRPK3 Q9UPE1 1/20 0.55
NAMPT P43490 2/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
PPARA Q07869 2/20 0.44
NR3C1 P04150 1/20 0.44
PPARG P37231 2/20 0.44
ALOX5 P09917 1/20 0.44
PSEN1 P49768 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL6094102 0.92 LRRK2 (0.53) LRRK2SRPK3
SCHEMBL6093674 0.91 LRRK2 (0.58) LRRK2
SCHEMBL6094786 0.90 LRRK2 (0.61) LRRK2SRPK3
SCHEMBL6096666 0.89 LRRK2 (0.50) LRRK2SRPK3NAMPT
SCHEMBL6095292 0.87 LRRK2 (0.48) LRRK2SRPK3
SCHEMBL6095944 0.87 LRRK2 (0.51) LRRK2
SCHEMBL5859917 0.86 MAPT (0.48) LRRK2SRPK3NAMPTHIF1AEPAS1
SCHEMBL5859178 0.84 MAPT (0.48) LRRK2SRPK3NAMPTHIF1AEPAS1
SCHEMBL6097023 0.83 LRRK2 (0.54) LRRK2
SCHEMBL6096112 0.83 PPARA (0.50) LRRK2PPARAPPARGPPARD

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 LRRK2 1828/4885SRPK3 3443/4885NAMPT 1563/4885

“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.