SCHEMBL8402201

SCHEMBL8402201

COc1ccc(C[C@H](NC(=O)C(C)NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.60
▸ CTSK P43235 2/20 0.59
▸ CTSL P07711 1/20 0.59
▸ CTSS P25774 1/20 0.59
▸ CTSB P07858 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.57
▸ ITGB3 P05106 7/20 0.57
▸ ITGA2B P08514 7/20 0.57
▸ FPR2 P25090 1/20 0.57
▸ KMT2A Q03164 1/20 0.56
▸ MME P08473 1/20 0.55
▸ ACE P12821 1/20 0.55
▸ CPA1 P15085 1/20 0.55
▸ ACE2 Q9BYF1 1/20 0.55
▸ CAPN1 P07384 2/20 0.55
▸ F2 P00734 1/20 0.55

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
SCHEMBL8106992 1.00 ATM (0.60) ATMCTSKCTSLCTSSCTSB
SCHEMBL12052761 1.00 ATM (0.60) ATMCTSKCTSLCTSSCTSB
SCHEMBL12052826 1.00 ATM (0.60) ATMCTSKCTSLCTSSCTSB
SCHEMBL8091133 1.00 ATM (0.60) ATMCTSKCTSLCTSSCTSB
SCHEMBL13437563 1.00 ATM (0.60) ATMCTSKCTSLCTSSCTSB
SCHEMBL8100024 0.93 CTSK (0.61) ATMCTSKCTSLCTSSCTSB
SCHEMBL8107011 0.93 CTSK (0.61) ATMCTSKCTSLCTSSCTSB
SCHEMBL12052762 0.93 CTSK (0.61) ATMCTSKCTSLCTSSCTSB
SCHEMBL16462787 0.93 CTSK (0.61) ATMCTSKCTSLCTSSCTSB
SCHEMBL12052825 0.93 CTSK (0.61) ATMCTSKCTSLCTSSCTSB

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
US-8080576-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 — — US disclosed
US-8080545-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
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 — — US disclosed
US-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 — — US disclosed
US-20070293465-A1 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2007-12-20 — — 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 (3 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-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 ATM 3102/4885CTSK 256/4885CTSL 724/4885
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ATM 3102/4885CTSK 256/4885CTSL 724/4885
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ATM 3102/4885CTSK 256/4885CTSL 724/4885

“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