SCHEMBL6096887

SCHEMBL6096887

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3cccnc3N3CCOCC3)c2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
KIF18A Q8NI77 1/20 0.41
TP53 P04637 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL6096822 0.89 CASP1 (0.46) MAPK1CASP1CASP7ALDH1A1TSHR
SCHEMBL6098067 0.83 MEN1 (0.51) MAPK1ALDH1A1MAPTTP53LMNA
SCHEMBL6096733 0.83 ALDH1A1 (0.43) ALDH1A1TSHRMAPTGAAMEN1
SCHEMBL6097028 0.82 CYP1A2 (0.54) MAPTLMNASMN1; SMN2
SCHEMBL6094169 0.82 POLB (0.45) MAPK1ALDH1A1MAPTPOLBTP53
SCHEMBL6097071 0.81 KDR (0.37) ALDH1A1MEN1KMT2A
SCHEMBL6094680 0.78 KCNMA1 (0.51) ALDH1A1GAATP53LMNASMN1; SMN2
SCHEMBL6095332 0.77 KCNH2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL6096098 0.77 KMT2A (0.39) MAPK1ALDH1A1MAPTGAALMNA
SCHEMBL6095585 0.76 KCNMA1 (0.47) MAPK1ALDH1A1MAPTPOLBGAA

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 MAPK1 845/4885CASP1 264/4885CASP7 714/4885

“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.