SCHEMBL6097833

SCHEMBL6097833

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.45
SYK P43405 1/20 0.44
FOLH1 Q04609 2/20 0.44
TBXAS1 P24557 1/20 0.44
LMNA P02545 1/20 0.42
DHODH Q02127 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39

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
SCHEMBL6096088 0.89 FOLH1 (0.46) LRRK2SYKFOLH1LMNAHSD17B10
SCHEMBL6096874 0.89 FOLH1 (0.56) FOLH1MRGPRX4
SCHEMBL6094786 0.87 LRRK2 (0.61) LRRK2SGMS2
SCHEMBL6094102 0.87 LRRK2 (0.53) LRRK2SGMS2
SCHEMBL6094504 0.86 NPC1 (0.41) LRRK2TBXAS1
SCHEMBL6095130 0.86 LRRK2 (0.44) LRRK2TBXAS1SGMS2
SCHEMBL6093674 0.85 LRRK2 (0.58) LRRK2SGMS2
SCHEMBL6095944 0.84 LRRK2 (0.51) LRRK2LMNASGMS2
SCHEMBL6096031 0.84 P2RY12 (0.45) HSD17B10
SCHEMBL6096495 0.84 NPC1 (0.40) LRRK2TBXAS1HSD17B10

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 1828/4885SYK 1446/4885FOLH1 4001/4885

“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.