SCHEMBL30564490

SCHEMBL30564490

C=CCOC(=O)[C@@H](CCCCO)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ TLR2 O60603 2/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MDM2 Q00987 4/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ EPHX2 P34913 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
SCHEMBL21785029 0.97 HDAC1 (0.46) HDAC1HDAC2MDM4TP53MDM2
SCHEMBL12221123 0.91 TLR2 (0.53) HDAC1HDAC2TLR2MDM4TP53
SCHEMBL12221104 0.91 TLR2 (0.53) HDAC1HDAC2TLR2MDM4TP53
SCHEMBL17633370 0.91 MDM2 (0.51) HDAC1HDAC2TLR2MDM4TP53
SCHEMBL31004028 0.91 TLR2 (0.53) HDAC1HDAC2TLR2MDM4TP53
SCHEMBL29398713 0.91 TLR2 (0.53) HDAC1HDAC2TLR2MDM4TP53
Hydrochloric Acid SCHEMBL25358748 0.90 TLR2 (0.54) HDAC1HDAC2TLR2MDM4TP53
Hydrochloric Acid SCHEMBL30003033 0.90 TLR2 (0.54) HDAC1HDAC2TLR2MDM4TP53
Hydrochloric Acid SCHEMBL29217894 0.90 TLR2 (0.54) HDAC1HDAC2TLR2MDM4TP53
Hydrochloric Acid SCHEMBL25358745 0.90 TLR2 (0.54) HDAC1HDAC2TLR2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP HDAC1 4555/4885HDAC2 4644/4885TLR2 3866/4885

“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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