SCHEMBL6097223

SCHEMBL6097223

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3ccc(F)cc3)c2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.47
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
KLKB1 P03952 3/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PLG P00747 2/20 0.40
KLK1 P06870 2/20 0.40
KLK6 Q92876 2/20 0.40
PDE10A Q9Y233 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
PLAU P00749 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL6093802 0.91 NPC1 (0.52) P2RX1MAPTKDM4EKLKB1MEN1
SCHEMBL6097073 0.90 KLKB1 (0.43) MAPTKLKB1MEN1NPC1KMT2A
SCHEMBL6097408 0.90 P2RX1 (0.51) P2RX1MAPTKDM4EKLKB1MEN1
SCHEMBL6095885 0.89 TMPRSS4 (0.50) P2RX1KLKB1MEN1KMT2APLG
SCHEMBL6096550 0.89 PLAU (0.43) MAPTKLKB1MEN1NPC1KMT2A
SCHEMBL6096291 0.89 F2 (0.43) MAPTKDM4EKLKB1MEN1NPC1
SCHEMBL6095585 0.88 KCNMA1 (0.47) MAPTKDM4EMEN1NPC1KMT2A
SCHEMBL6096672 0.87 TMPRSS4 (0.50) P2RX1MAPTKLKB1MEN1NPC1
SCHEMBL6097420 0.87 KMT2A (0.49) MAPTKLKB1MEN1NPC1KMT2A
SCHEMBL6095900 0.87 KMT2A (0.47) MAPTMEN1NPC1KMT2ARAB9A

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 4484/4885MAPT 2457/4885KDM4E 1491/4885

“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.