SCHEMBL377964

SCHEMBL377964

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ IDO1 P14902 2/20 0.51
▸ MDM4 O15151 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TNF P01375 1/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ PTPN1 P18031 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
SCHEMBL15982313 1.00 HDAC1 (0.57) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL392598 1.00 HDAC1 (0.57) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL29555721 1.00 HDAC1 (0.57) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL15985771 0.94 HDAC1 (0.52) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL28764653 0.93 HDAC1 (0.60) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL29984836 0.93 HDAC1 (0.60) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL30711879 0.93 HDAC1 (0.60) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL13561436 0.93 HDAC1 (0.60) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL6159625 0.92 HDAC1 (0.61) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL6157856 0.92 HDAC1 (0.61) HDAC1HDAC2IDO1MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 — — US disclosed
US-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 — — US disclosed
EP-2408759-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS Valorisation-Recherche, Société en Commandite (CA) 2012-01-25 — — EP disclosed
WO-2010105367-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS VALORISATION-RECHERCHE SOCIETE EN COMMANDITE (CA) 2010-09-23 — — WO 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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS QPCT, GLUL, ASNS HDAC1 4662/4885HDAC2 4816/4885IDO1 3619/4885

“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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