SCHEMBL5859005

SCHEMBL5859005

COC1=C(OC)C(=O)C(Cc2cnccc2-c2ccccc2C(=O)O)=C(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.41
▸ KCNA5 P22460 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ BRS3 P32247 4/20 0.37
▸ TRAP1 Q12931 1/20 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
▸ FGFR3 P22607 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL5859139 0.78 MAPK1 (0.38) KCNA5MAPK1BRS3RAB9AMYC
SCHEMBL5859338 0.77 TBXAS1 (0.43) TBXAS1BRS3
SCHEMBL5859170 0.74 TBXAS1 (0.45) TBXAS1LMNAHTTKDM4EALDH1A1
SCHEMBL6095729 0.74 HMGB1 (0.44) MAPK1TRAP1LMNAMAPTHTT
SCHEMBL5859335 0.72 TBXAS1 (0.45) TBXAS1MAPK1LMNAHTTKDM4E
SCHEMBL6096506 0.70 KDM4E (0.50) MAPK1TRAP1LMNAMAPTHTT
SCHEMBL5860209 0.70 PTPN1 (0.42) MAPK1BRS3TRAP1LMNAMAPT
SCHEMBL6097925 0.70 PTGER1 (0.42) TRAP1LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL5859200 0.70 FOLH1 (0.42) BRS3LMNAMAPTHTTTDP1
SCHEMBL27967304 0.70 MYC (0.53) MAPTTDP1KDM4EALDH1A1L3MBTL1

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 TBXAS1 563/4885KCNA5 1736/4885MAPK1 759/4885

“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.

Send feedback