SCHEMBL13411489

SCHEMBL13411489

NC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ IDO1 P14902 1/20 0.50
▸ CASP3 P42574 2/20 0.48
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PTPN1 P18031 4/20 0.48
▸ TNF P01375 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ PSMB1 P20618 1/20 0.46

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
SCHEMBL29401206 0.91 CASP3 (0.55) HDAC1HDAC2KMT2AIDO1CASP3
SCHEMBL31348914 0.91 CASP3 (0.55) HDAC1HDAC2KMT2AIDO1CASP3
SCHEMBL6588912 0.91 CASP3 (0.55) HDAC1HDAC2KMT2AIDO1CASP3
SCHEMBL31348963 0.91 CASP3 (0.55) HDAC1HDAC2KMT2AIDO1CASP3
SCHEMBL29401236 0.91 CASP3 (0.55) HDAC1HDAC2KMT2AIDO1CASP3
SCHEMBL28792081 0.89 HDAC1 (0.54) HDAC1HDAC2KMT2AIDO1MDM4
SCHEMBL15886222 0.89 HDAC1 (0.51) HDAC1HDAC2KMT2AIDO1CASP3
SCHEMBL25297393 0.89 KMT2A (0.56) HDAC1HDAC2KMT2AIDO1CASP3
SCHEMBL13411488 0.89 KMT2A (0.56) HDAC1HDAC2KMT2AIDO1CASP3
SCHEMBL17446645 0.88 HDAC1 (0.57) HDAC1HDAC2KMT2AIDO1CASP3

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-20100068692-A1 ANTIFREEZE GLYCOPROTEIN ANALOGUES AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2010-03-18 — — 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-20100068692-A1 ANTIFREEZE GLYCOPROTEIN ANALOGUES AND USES THEREOF SRRM2, MSR1, CD59 HDAC1 2107/4885HDAC2 1970/4885KMT2A 1881/4885

“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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