SCHEMBL6095885

SCHEMBL6095885

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 9/20 0.50
P2RX1 P51575 8/20 0.50
P2RX4 Q99571 4/20 0.50
P2RX7 Q99572 4/20 0.50
PPARA Q07869 1/20 0.46
PLG P00747 2/20 0.45
KLK1 P06870 2/20 0.45
KLK6 Q92876 2/20 0.45
KLKB1 P03952 1/20 0.45
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
SLC2A1 P11166 1/20 0.41
MEN1 O00255 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
KMT2A Q03164 1/20 0.40
MYLK Q15746 1/20 0.40
MAP4K5 Q9Y4K4 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
SCHEMBL6096677 0.92 P2RX1 (0.58) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL6097354 0.91 P2RX1 (0.53) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL6097223 0.89 P2RX1 (0.47) P2RX1PLGKLK1KLK6KLKB1
SCHEMBL6096864 0.89 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7PPARA
SCHEMBL6093802 0.88 NPC1 (0.52) TMPRSS4P2RX1KLKB1MEN1KDR
SCHEMBL6095574 0.88 P2RX1 (0.45) TMPRSS4P2RX1PLGKLK1KLK6
SCHEMBL6095585 0.87 KCNMA1 (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL6097408 0.87 P2RX1 (0.51) TMPRSS4P2RX1P2RX4P2RX7KLKB1
SCHEMBL6097073 0.87 KLKB1 (0.43) PLGKLK1KLK6KLKB1MEN1
SCHEMBL6096112 0.87 PPARA (0.50) PPARAAVPR2GPR27

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 TMPRSS4 3293/4885P2RX1 4484/4885P2RX4 4716/4885

“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.