SCHEMBL5025306

SCHEMBL5025306

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.45
PSMB1 P20618 3/20 0.43
REN P00797 7/20 0.41
HTRA1 Q92743 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
EGFR P00533 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
SCN9A Q15858 1/20 0.38
PTPRB P23467 1/20 0.38

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
SCHEMBL5019075 0.89 PSMB5 (0.48) PSMB5PSMB1
SCHEMBL5018524 0.88 PSMB5 (0.49) PSMB5PSMB1
SCHEMBL5025300 0.87 PSMB5 (0.45) PSMB5PSMB1RENHDAC8
SCHEMBL5025229 0.83 PSMB5 (0.52) PSMB5PSMB1HDAC8RXFP1
SCHEMBL5018504 0.79 PSMB5 (0.45) PSMB5PSMB1
SCHEMBL5025228 0.79 HDAC8 (0.44) PSMB5PSMB1RENHTRA1HDAC8
SCHEMBL5019069 0.78 PSMB5 (0.47) PSMB5PSMB1HDAC8
SCHEMBL13290343 0.74 HDAC4 (0.51) HDAC8SCN9A
SCHEMBL5018280 0.73 ADCY6 (0.42) HDAC8SCN9A
SCHEMBL10271682 0.73 MCL1 (0.40) PSMB5PSMB1

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 865/4885PSMB1 556/4885REN 1304/4885

“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.