SCHEMBL31688654

SCHEMBL31688654

COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)c2ccc(CCN(CC(=O)O)C(=O)OCC3c4ccccc4-c4ccccc43)cc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 13/20 0.46
▸ KEAP1 Q14145 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MMP3 P08254 1/20 0.41
▸ PTGES O14684 1/20 0.40
▸ TAS2R8 Q9NYW2 1/20 0.40
▸ CXCR3 P49682 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL28901513 0.84 ALDH1A1 (0.46) ALDH1A1
SCHEMBL29363915 0.84 ALDH1A1 (0.46) ALDH1A1
SCHEMBL31688813 0.79 TAS2R14 (0.46) TAS2R14KEAP1ALDH1A1TP53
SCHEMBL31369857 0.78 LPAR1 (0.46) KEAP1ALDH1A1
SCHEMBL3700750 0.76 TDP1 (0.43) ALDH1A1GAA
SCHEMBL30639568 0.76 KMT2A (0.44) —
SCHEMBL21952273 0.76 KMT2A (0.44) —
SCHEMBL29401351 0.75 POLB (0.43) KEAP1ALDH1A1GAA
SCHEMBL29004323 0.75 FABP5 (0.46) TAS2R14ALDH1A1
SCHEMBL25357857 0.74 KMT2A (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — US claimed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP TAS2R14 2348/4885KEAP1 2805/4885ALDH1A1 4626/4885

“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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