SCHEMBL5859896

SCHEMBL5859896

COC1=C(OC)C(=O)C(c2ccc(C(=O)O)c(-c3cccnc3)c2C)=C(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.39
MKNK2 Q9HBH9 4/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
GPR35 Q9HC97 2/20 0.39
DHODH Q02127 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC2A1 P11166 1/20 0.37
ACLY P53396 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL5860276 0.87 PDE4B (0.43) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL5859955 0.84 CYP2C9 (0.43) MKNK1MKNK2PARP10PARP11HTT
SCHEMBL5859192 0.83 PSMD14 (0.51) KDM4ELMNA
SCHEMBL5859035 0.83 HTT (0.41) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL5862147 0.83 KDM4E (0.42) MKNK1MKNK2GPR35DHODHKDM4E
SCHEMBL5859183 0.81 MAPT (0.49) DHODHLMNAHTT
SCHEMBL5859170 0.72 TBXAS1 (0.45) MKNK1MKNK2DHODHKDM4ELMNA
SCHEMBL5859335 0.72 TBXAS1 (0.45) MKNK1MKNK2PARP10PARP11DHODH
SCHEMBL5859320 0.71 TP53 (0.47) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL5860207 0.71 CYP2C9 (0.43) MKNK1MKNK2HTTALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 US 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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB MKNK1 1507/4885MKNK2 1394/4885PARP10 2148/4885

“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.