SCHEMBL6096744

SCHEMBL6096744

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.43
RXFP1 Q9HBX9 2/20 0.42
ALOX15 P16050 4/20 0.41
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 1/20 0.39
PNLIP P16233 1/20 0.39
KIF11 P52732 1/20 0.39
P2RX1 P51575 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL6095574 0.93 P2RX1 (0.45) KLKB1RXFP1ALOX15PLGKLK1
SCHEMBL6095401 0.88 RXFP1 (0.43) RXFP1AVPR2GPR27KIF11KDM4E
SCHEMBL6095797 0.86 CA1 (0.42) RXFP1AVPR2GPR27KIF11KDM4E
SCHEMBL6096091 0.83 SMN1; SMN2 (0.47) KLKB1ALOX15PLGKLK1KLK6
SCHEMBL6095885 0.80 TMPRSS4 (0.50) KLKB1PLGKLK1KLK6AVPR2
SCHEMBL6097460 0.80 LMNA (0.48) KLKB1KDM4E
SCHEMBL6097223 0.79 P2RX1 (0.47) KLKB1ALOX15PLGKLK1KLK6
SCHEMBL6095638 0.79 KCNQ3 (0.45) KLKB1ALOX15PLGKLK1KLK6
SCHEMBL6097042 0.79 KDM4E (0.48) KDM4E
SCHEMBL6097209 0.78 RXFP1 (0.42) RXFP1KIF11KDM4ENR1H4CA1

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 KLKB1 802/4885RXFP1 4462/4885ALOX15 763/4885

“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.