SCHEMBL6096296

SCHEMBL6096296

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.42
PLG P00747 2/20 0.42
KLK1 P06870 2/20 0.42
KLK6 Q92876 2/20 0.42
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
CYP17A1 P05093 1/20 0.41
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALOX15 P16050 3/20 0.38
MAPK14 Q16539 1/20 0.38
PLAU P00749 2/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLAT P00750 1/20 0.37

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
SCHEMBL6096859 0.91 STAT3 (0.45) KLKB1PLGKLK1KLK6MEN1
SCHEMBL6097089 0.87 HTT (0.39) CYP17A1NPC1KMT2ARAB9AMAPT
SCHEMBL6093802 0.87 NPC1 (0.52) KLKB1MEN1NPC1KMT2ACASP3
SCHEMBL6097408 0.86 P2RX1 (0.51) KLKB1MEN1KMT2AALOX15MAPT
SCHEMBL6097223 0.86 P2RX1 (0.47) KLKB1PLGKLK1KLK6MEN1
SCHEMBL6097073 0.86 KLKB1 (0.43) KLKB1PLGKLK1KLK6MEN1
SCHEMBL6095885 0.86 TMPRSS4 (0.50) KLKB1PLGKLK1KLK6MEN1
SCHEMBL6096291 0.85 F2 (0.43) KLKB1PLGKLK1KLK6MEN1
SCHEMBL6096550 0.85 PLAU (0.43) KLKB1PLGKLK1KLK6MEN1
SCHEMBL6095585 0.84 KCNMA1 (0.47) MEN1NPC1KMT2ARAB9AMAPT

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 KLKB1 802/4885PLG 2714/4885KLK1 2911/4885

“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.