SCHEMBL11965162

SCHEMBL11965162

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.56
▸ KMT2A Q03164 2/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41

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
SCHEMBL12261165 0.88 CASP3 (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15223381 0.88 CASP3 (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL33377881 0.88 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL33377838 0.88 CASP3 (0.69) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL22960726 0.88 CASP3 (0.69) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15382522 0.83 CASP3 (0.55) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL6520211 0.82 KMT2A (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29400883 0.82 KMT2A (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL119042 0.82 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL11965163 0.82 KMT2A (0.51) CASP3KMT2AEPHX2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 — — US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 — — 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 CASP3 1263/4885KMT2A 4326/4885EPHX2 4273/4885

“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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