SCHEMBL5019135

SCHEMBL5019135

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
SIRT5 Q9NXA8 1/20 0.48
PSMB5 P28074 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
CTNNB1 P35222 1/20 0.47
PSMB1 P20618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL5019129 1.00 CTSS (0.52) CTSSCTSKHDAC4HDAC1HDAC8
SCHEMBL5019138 0.93 CTSS (0.51) CTSSCTSKHDAC4HDAC1HDAC8
SCHEMBL13290363 0.92 CTSS (0.53) CTSSCTSKHDAC4HDAC1HDAC8
SCHEMBL5024217 0.91 CTSS (0.52) CTSSCTSKHDAC4HDAC1HDAC8
SCHEMBL13290366 0.90 CTSS (0.51) CTSSCTSKHDAC4HDAC1HDAC8
SCHEMBL13290364 0.89 CTSS (0.50) CTSSCTSKHDAC4HDAC1HDAC8
SCHEMBL5024244 0.89 CTSS (0.55) CTSSCTSKHDAC4HDAC1HDAC8
SCHEMBL13290352 0.89 CTSS (0.55) CTSSCTSKHDAC4HDAC1HDAC8
SCHEMBL13290350 0.88 CTSS (0.50) CTSSCTSKHDAC4HDAC1HDAC8
SCHEMBL5019144 0.87 CTSS (0.45) CTSSCTSKHDAC4HDAC1HDAC8

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 5 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-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
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 CTSS 1281/4885CTSK 1390/4885HDAC4 653/4885

“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.