SCHEMBL6096677

SCHEMBL6096677

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)=C(C)C1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 15/20 0.58
TMPRSS4 Q9NRS4 13/20 0.58
P2RX7 Q99572 7/20 0.50
P2RX4 Q99571 6/20 0.50
MEN1 O00255 1/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
KMT2A Q03164 1/20 0.50
MYLK Q15746 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50
SLC2A1 P11166 1/20 0.43
P2RX3 P56373 1/20 0.43

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
SCHEMBL6097354 0.93 P2RX1 (0.53) P2RX1TMPRSS4P2RX7P2RX4SLC2A1
SCHEMBL6095885 0.92 TMPRSS4 (0.50) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL6096625 0.87 P2RX1 (0.44) P2RX1TMPRSS4P2RX7P2RX4IKBKB
SCHEMBL6097223 0.85 P2RX1 (0.47) P2RX1MEN1KMT2A
SCHEMBL6094867 0.84 ALDH1A1 (0.45) TMPRSS4MEN1KMT2A
SCHEMBL6095574 0.84 P2RX1 (0.45) P2RX1TMPRSS4MEN1KMT2A
SCHEMBL6093802 0.84 NPC1 (0.52) P2RX1TMPRSS4MEN1KDRKMT2A
SCHEMBL6095954 0.84 GAA (0.43) TMPRSS4MEN1KMT2A
SCHEMBL6097408 0.83 P2RX1 (0.51) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL6095585 0.83 KCNMA1 (0.47) MEN1KMT2A

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 P2RX1 4484/4885TMPRSS4 3293/4885P2RX7 4166/4885

“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.