SCHEMBL6095574

SCHEMBL6095574

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.45
RXFP1 Q9HBX9 3/20 0.42
PLG P00747 2/20 0.39
KLK1 P06870 2/20 0.39
KLK6 Q92876 2/20 0.39
TMPRSS4 Q9NRS4 2/20 0.39
KLKB1 P03952 1/20 0.39
KIF11 P52732 1/20 0.39
ALOX15 P16050 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLAU P00749 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
SCHEMBL6096744 0.93 KLKB1 (0.43) P2RX1RXFP1PLGKLK1KLK6
SCHEMBL6095885 0.88 TMPRSS4 (0.50) P2RX1PLGKLK1KLK6TMPRSS4
SCHEMBL6095797 0.88 CA1 (0.42) RXFP1KIF11KDM4EMAPK1MAPT
SCHEMBL6097223 0.87 P2RX1 (0.47) P2RX1PLGKLK1KLK6KLKB1
SCHEMBL6095401 0.86 RXFP1 (0.43) RXFP1KIF11KDM4EMAPK1MAPT
SCHEMBL6093802 0.86 NPC1 (0.52) P2RX1TMPRSS4KLKB1KDM4EMEN1
SCHEMBL6097073 0.85 KLKB1 (0.43) PLGKLK1KLK6KLKB1ALOX15
SCHEMBL6097408 0.85 P2RX1 (0.51) P2RX1TMPRSS4KLKB1ALOX15KDM4E
SCHEMBL6096677 0.84 P2RX1 (0.58) P2RX1TMPRSS4MEN1KMT2A
SCHEMBL6096291 0.84 F2 (0.43) PLGKLK1KLK6KLKB1ALOX15

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 4484/4885RXFP1 4462/4885PLG 2714/4885

“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.