SCHEMBL12052840

SCHEMBL12052840

COC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.48
▸ MDM2 Q00987 1/20 0.47
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CTSL P07711 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ABCB1 P08183 1/20 0.44

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
SCHEMBL8100860 1.00 PTPN1 (0.48) PTPN1MDM2MDM4TP53CTSL
SCHEMBL8104883 0.93 PTPN1 (0.48) PTPN1MDM2CTSLCTSKALDH1A1
SCHEMBL12052841 0.93 PTPN1 (0.48) PTPN1MDM2CTSLCTSKALDH1A1
SCHEMBL29349956 0.92 MDM4 (0.51) PTPN1MDM2MDM4TP53CTSL
SCHEMBL29047065 0.92 PTPN1 (0.48) PTPN1MDM2MDM4TP53CTSL
SCHEMBL117946 0.92 MDM4 (0.51) PTPN1MDM2MDM4TP53CTSL
SCHEMBL16075059 0.92 PTPN1 (0.49) PTPN1MDM2MDM4TP53CTSL
SCHEMBL29384797 0.92 MDM4 (0.51) PTPN1MDM2MDM4TP53CTSL
SCHEMBL119588 0.92 MDM4 (0.51) PTPN1MDM2MDM4TP53CTSL
SCHEMBL31714182 0.92 MDM4 (0.51) PTPN1MDM2MDM4TP53CTSL

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-8080576-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 — — US disclosed
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 — — 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-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 PTPN1 1676/4885MDM2 151/4885MDM4 1727/4885

“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.

Send feedback