SCHEMBL6096822

SCHEMBL6096822

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
KIF18A Q8NI77 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.37
BACE1 P56817 1/20 0.37
PTK2 Q05397 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
SCHEMBL6096887 0.89 MAPK1 (0.48) CASP1CASP7MAPK1MAPTABCB1
SCHEMBL6097081 0.84 KMT2A (0.52) MAPK1MAPTABCB1ABCG2ALDH1A1
SCHEMBL6094733 0.84 ALDH1A1 (0.40) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL6095599 0.84 CYP1A2 (0.51) MAPTLMNASMN1; SMN2RAB9A
SCHEMBL6095715 0.83 PDE4A (0.49) MAPK1MAPTALDH1A1TP53POLB
SCHEMBL6096656 0.82 KDM4E (0.38) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL6095611 0.79 NPC1 (0.47) ALDH1A1TP53LMNAPOLBGAA
SCHEMBL6098329 0.79 PKM (0.44) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL6096340 0.79 CFD (0.45) MAPK1MAPTALDH1A1LMNAGAA
SCHEMBL6095967 0.77 PDE4A (0.49) MAPK1MAPTALDH1A1TP53POLB

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

“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.