SCHEMBL6097089

SCHEMBL6097089

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=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
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CFD P00746 1/20 0.39
CYP17A1 P05093 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
PPARG P37231 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CCR5 P51681 3/20 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
SCHEMBL6097641 0.91 PKM (0.43) HTTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6098348 0.88 CCR5 (0.48) HTTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6095894 0.87 CA1 (0.42) HTTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6096296 0.87 KLKB1 (0.42) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6095530 0.87 ALDH1A1 (0.47) HTTALDH1A1NPSR1CFDLMNA
SCHEMBL6094337 0.87 CCR5 (0.43) HTTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6096112 0.87 PPARA (0.50) HTTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6095718 0.86 PKM (0.52) HTTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6097613 0.86 KMT2A (0.47) HTTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6095243 0.85 KMT2A (0.46) HTTALDH1A1NPSR1CYP1A2CYP3A4

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 HTT 3970/4885ALDH1A1 1508/4885NPSR1 3932/4885

“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.