SCHEMBL6096672

SCHEMBL6096672

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.44
P2RX1 P51575 1/20 0.43
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KLKB1 P03952 2/20 0.39
PLG P00747 2/20 0.39
KLK1 P06870 2/20 0.39
KLK6 Q92876 2/20 0.39

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
SCHEMBL6097420 0.90 KMT2A (0.49) TMPRSS4MEN1NPC1KMT2ACASP3
SCHEMBL6093802 0.88 NPC1 (0.52) TMPRSS4P2RX1SAE1UBA2MEN1
SCHEMBL6097073 0.87 KLKB1 (0.43) MEN1NPC1KMT2ACASP3RAB9A
SCHEMBL6097223 0.87 P2RX1 (0.47) P2RX1MEN1NPC1KMT2ACASP3
SCHEMBL6097408 0.87 P2RX1 (0.51) TMPRSS4P2RX1MEN1KMT2AKLKB1
SCHEMBL6096541 0.87 SIRT2 (0.41) SIRT2SAE1UBA2PIM1PIM3
SCHEMBL6096291 0.86 F2 (0.43) MEN1NPC1KMT2ACASP3RAB9A
SCHEMBL6096550 0.86 PLAU (0.43) MEN1NPC1KMT2ACASP3RAB9A
SCHEMBL6095585 0.85 KCNMA1 (0.47) MEN1NPC1KMT2ARAB9AMAPT
SCHEMBL6095885 0.85 TMPRSS4 (0.50) TMPRSS4P2RX1MEN1KMT2AKLKB1

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 3293/4885SIRT2 1211/4885P2RX1 4484/4885

“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.