SCHEMBL5025229

SCHEMBL5025229

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.52
HDAC8 Q9BY41 2/20 0.51
PSMB1 P20618 3/20 0.50
CTNNB1 P35222 2/20 0.49
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
CTSS P25774 5/20 0.46
CTSK P43235 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
IDO1 P14902 1/20 0.45
STAT3 P40763 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL5019030 0.87 PSMB5 (0.57) PSMB5PSMB1CTNNB1IDO1STAT3
SCHEMBL5019135 0.87 CTSS (0.52) PSMB5HDAC8PSMB1CTNNB1HDAC4
SCHEMBL5019129 0.87 CTSS (0.52) PSMB5HDAC8PSMB1CTNNB1HDAC4
SCHEMBL5025228 0.85 HDAC8 (0.44) PSMB5HDAC8PSMB1CTSSCTSK
SCHEMBL5018702 0.83 HDAC4 (0.57) HDAC8CTNNB1HDAC4HDAC1CTSS
SCHEMBL5025306 0.83 PSMB5 (0.45) PSMB5HDAC8PSMB1RXFP1
SCHEMBL5019138 0.80 CTSS (0.51) PSMB5HDAC8PSMB1HDAC4HDAC1
SCHEMBL22962065 0.80 ACE (0.61) CTSSCTSKCTSLCTSBPPARG
SCHEMBL29666452 0.80 CTSS (0.57) HDAC8HDAC4HDAC1CTSSCTSK
SCHEMBL13290363 0.79 CTSS (0.53) PSMB5HDAC8PSMB1HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 PSMB5 865/4885HDAC8 661/4885PSMB1 556/4885

“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.