SCHEMBL3026489

SCHEMBL3026489

O=C(O)C=Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAD51 Q06609 1/20 0.45
CASP3 P42574 2/20 0.43
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL3026492 1.00 EPHX2 (0.57) EPHX2KMT2AMAPTRAB9ANPSR1
SCHEMBL30946961 1.00 EPHX2 (0.57) EPHX2KMT2AMAPTRAB9ANPSR1
SCHEMBL4893765 0.86 EPHX2 (0.43) EPHX2KMT2AMAPTRAB9ANPSR1
SCHEMBL4893768 0.86 EPHX2 (0.43) EPHX2KMT2AMAPTRAB9ANPSR1
SCHEMBL2744941 0.85 EPHX2 (0.62) EPHX2KMT2ACASP3FABP7FABP5
SCHEMBL8366872 0.85 EPHX2 (0.75) EPHX2KMT2AMAPTRAB9ACASP3
SCHEMBL13984669 0.84 EPHX2 (0.60) EPHX2KMT2ACASP3FABP7FABP5
SCHEMBL30261804 0.84 EPHX2 (0.55) EPHX2KMT2AMAPTRAB9ANPSR1
SCHEMBL15341324 0.84 KMT2A (0.51) EPHX2KMT2ACASP3HDAC3HDAC1
SCHEMBL118052 0.81 EPHX2 (0.63) EPHX2KMT2ACASP3FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 CN disclosed
US-9162991-B2 Cinnamoyl inhibitors of transglutaminase UNIVERSITY OF OTTAWA (CA) 2015-10-20 US disclosed
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2014-01-23 US disclosed
US-8614233-B2 Cinnamoyl inhibitors of transglutaminase UNIVERSITE DE MONTREAL (CA) 2013-12-24 US disclosed
US-20100204280-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2010-08-12 US disclosed
WO-2008144933-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE Université de Montréal (CA) 2008-12-04 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 (2 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-20100204280-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TGM1 EPHX2 1993/4885KMT2A 2216/4885MAPT 1920/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI EPHX2 1955/4885KMT2A 2340/4885MAPT 2474/4885

“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.