SCHEMBL6095446

SCHEMBL6095446

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cn3)c2)=C(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
RXFP1 Q9HBX9 4/20 0.37
KMT2A Q03164 3/20 0.37
CFD P00746 1/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.34
ABCB1 P08183 2/20 0.34
MITF O75030 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCC1 P33527 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL6096278 0.90 GCK (0.47) GCKNPC1RAB9ARXFP1KMT2A
SCHEMBL6097641 0.88 PKM (0.43) NPC1RAB9AKMT2ACFDMEN1
SCHEMBL6097759 0.83 PDE4A (0.37) RXFP1KMT2ACFDMEN1CYP1A2
SCHEMBL6095611 0.83 NPC1 (0.47) NPC1RAB9ARXFP1KMT2ACFD
SCHEMBL6097089 0.81 HTT (0.39) NPC1RAB9AKMT2ACFDCYP1A2
SCHEMBL6094781 0.80 NPC1 (0.40) NPC1RAB9ARXFP1KMT2ACFD
SCHEMBL6094337 0.79 CCR5 (0.43) NPC1RAB9AKMT2ACFDMEN1
SCHEMBL6095718 0.78 PKM (0.52) NPC1RAB9AKMT2ACFDCYP1A2
SCHEMBL6097238 0.78 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL6099250 0.78 LMNA (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 GCK 2801/4885NPC1 1501/4885RAB9A 3710/4885

“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.