SCHEMBL6096864

SCHEMBL6096864

CC1=C(C)C(=O)C(Cc2ccc(O)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)=C(C)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 10/20 0.55
P2RX1 P51575 9/20 0.55
P2RX4 Q99571 4/20 0.55
P2RX7 Q99572 4/20 0.55
PLG P00747 2/20 0.49
KLK1 P06870 2/20 0.49
KLK6 Q92876 2/20 0.49
KLKB1 P03952 1/20 0.49
MEN1 O00255 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
KMT2A Q03164 1/20 0.44
MYLK Q15746 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 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
SCHEMBL6095885 0.89 TMPRSS4 (0.50) TMPRSS4P2RX1P2RX4P2RX7PLG
SCHEMBL6094625 0.86 KCNMA1 (0.52) PLGKLK1KLK6KLKB1SMN1; SMN2
SCHEMBL6096885 0.85 PPARA (0.48) PPARASMN1; SMN2NPC1GMNNLMNA
SCHEMBL6096677 0.81 P2RX1 (0.58) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL6097354 0.79 P2RX1 (0.53) TMPRSS4P2RX1P2RX4P2RX7SMN1; SMN2
SCHEMBL23388966 0.78 TMPRSS4 (0.63) TMPRSS4P2RX1P2RX4P2RX7PLG
SCHEMBL6097223 0.77 P2RX1 (0.47) P2RX1PLGKLK1KLK6KLKB1
SCHEMBL6095574 0.77 P2RX1 (0.45) TMPRSS4P2RX1PLGKLK1KLK6
SCHEMBL24460414 0.76 P2RX1 (0.80) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL6096112 0.76 PPARA (0.50) PPARALMNACYP1A2CYP3A4CYP2C9

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.