SCHEMBL31370796

SCHEMBL31370796

O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ SLC17A5 Q9NRA2 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ CASP3 P42574 2/20 0.43
▸ 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
SCHEMBL17446644 1.00 HDAC1 (0.51) HDAC1HDAC2MDM4TP53IDO1
SCHEMBL29715771 0.91 PTPN1 (0.46) HDAC1HDAC2MDM4TP53KMT2A
SCHEMBL17446656 0.91 PTPN1 (0.46) HDAC1HDAC2MDM4TP53KMT2A
SCHEMBL13012797 0.90 HDAC1 (0.45) HDAC1HDAC2MDM4TP53KMT2A
SCHEMBL17276990 0.90 HDAC1 (0.45) HDAC1HDAC2MDM4TP53KMT2A
SCHEMBL17446822 0.90 PTPN1 (0.45) HDAC1HDAC2MDM4TP53KMT2A
SCHEMBL5998507 0.89 MDM4 (0.55) MDM4TP53KMT2ASLC17A5CASP3
SCHEMBL29503847 0.89 MDM4 (0.55) MDM4TP53KMT2ASLC17A5CASP3
SCHEMBL29560536 0.89 MDM4 (0.55) MDM4TP53KMT2ASLC17A5CASP3
SCHEMBL29395463 0.89 MDM4 (0.55) MDM4TP53KMT2ASLC17A5CASP3

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 HDAC1 3939/4885HDAC2 4746/4885MDM4 2155/4885

“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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