SCHEMBL16119083

SCHEMBL16119083

CCCCOc1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.54
CNR1 P21554 1/20 0.54
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
KLK5 Q9Y337 1/20 0.47
PTPN1 P18031 5/20 0.47
ITGA4 P13612 2/20 0.42
ITGB7 P26010 2/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL8005403 0.96 ITGB3 (0.49) CNR2CNR1ITGB3ITGA2BKLK5
SCHEMBL16315984 0.96 ITGB3 (0.49) CNR2CNR1ITGB3ITGA2BKLK5
SCHEMBL16119167 0.93 CNR2 (0.49) CNR2CNR1ITGB3ITGA2BKLK5
SCHEMBL13260767 0.90 ITGB3 (0.48) CNR2CNR1ITGB3ITGA2BKLK5
SCHEMBL16118744 0.90 ITGB3 (0.48) CNR2CNR1ITGB3ITGA2BKLK5
SCHEMBL15711960 0.89 ITGB3 (0.49) CNR2CNR1ITGB3ITGA2BKLK5
SCHEMBL7439577 0.89 KLK5 (0.54) KLK5ITGA4ITGB7
SCHEMBL8005589 0.86 ITGB3 (0.61) ITGB3ITGA2BPTPN1ITGA4ITGB7
SCHEMBL16315983 0.86 ITGB3 (0.61) ITGB3ITGA2BPTPN1ITGA4ITGB7
SCHEMBL15593763 0.85 ITGB3 (0.64) ITGB3ITGA2BKLK5PTPN1ITGA4

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
EP-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 EP disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
WO-2014152134-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 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-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP CNR2 4318/4885CNR1 4079/4885ITGB3 4686/4885

“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.