SCHEMBL5859170

SCHEMBL5859170

COC1=C(OC)C(=O)C(Cc2ccc(C(=O)O)c(-c3cccnc3)c2)=C(C)C1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.45
▸ CYP11B1 P15538 6/20 0.42
▸ CYP11B2 P19099 6/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLQ O75417 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ DHODH Q02127 1/20 0.37

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
SCHEMBL5859335 0.92 TBXAS1 (0.45) TBXAS1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL5860209 0.89 PTPN1 (0.42) CYP2C9KDM4ELMNAHTTALDH1A1
SCHEMBL5859180 0.85 CYP2C9 (0.43) TBXAS1CYP11B1CYP11B2CYP19A1CYP2C9
SCHEMBL5859125 0.84 PSMD14 (0.49) CYP11B1CYP11B2KDM4ELMNAALDH1A1
SCHEMBL5859030 0.83 HTT (0.42) TBXAS1CYP11B1CYP11B2CYP2C9KDM4E
SCHEMBL5859178 0.81 MAPT (0.48) LMNA
SCHEMBL5859000 0.81 CYP46A1 (0.42) TBXAS1CYP19A1CYP2C9LMNAHTT
SCHEMBL5859203 0.80 FOLH1 (0.51) CYP2C9KDM4ELMNAHTTALDH1A1
SCHEMBL6097833 0.80 LRRK2 (0.45) TBXAS1LMNAHSD17B10DHODH
SCHEMBL5859338 0.80 TBXAS1 (0.43) TBXAS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 — — US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 — — EP disclosed
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 — — US 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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB TBXAS1 563/4885CYP11B1 429/4885CYP11B2 710/4885

“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.

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