SCHEMBL5019141

SCHEMBL5019141

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(CN)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.45
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
UBE2M P61081 6/20 0.43
DCUN1D1 Q96GG9 6/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
EPHX2 P34913 2/20 0.42
SCN9A Q15858 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CMA1 P23946 2/20 0.40
CTRC Q99895 2/20 0.40

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
SCHEMBL5019140 0.93 HDAC4 (0.45) PSMB5HDAC4HDAC1UBE2MDCUN1D1
SCHEMBL5025226 0.89 CTSS (0.45) PSMB5HDAC4HDAC1UBE2MDCUN1D1
SCHEMBL5019144 0.89 CTSS (0.45) PSMB5HDAC4HDAC1UBE2MDCUN1D1
SCHEMBL5019137 0.89 CTSS (0.45) PSMB5HDAC4HDAC1UBE2MDCUN1D1
SCHEMBL5024508 0.87 DCUN1D1 (0.45) PSMB5UBE2MDCUN1D1EPHX2
SCHEMBL5019161 0.87 DCUN1D1 (0.45) PSMB5UBE2MDCUN1D1EPHX2
SCHEMBL5018681 0.87 DCUN1D1 (0.45) PSMB5UBE2MDCUN1D1EPHX2
SCHEMBL5024217 0.84 CTSS (0.52) PSMB5HDAC4HDAC1CTSSCTSK
SCHEMBL5019129 0.84 CTSS (0.52) PSMB5HDAC4HDAC1CTSSCTSK
SCHEMBL5019135 0.84 CTSS (0.52) PSMB5HDAC4HDAC1CTSSCTSK

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-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

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 865/4885HDAC4 653/4885HDAC1 852/4885

“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.