SCHEMBL5018568

SCHEMBL5018568

NCCN(CCN)C(=O)CC[C@H](N)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 3/20 0.45
RXFP1 Q9HBX9 4/20 0.44
PSMB1 P20618 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
IDO1 P14902 1/20 0.42
STAT3 P40763 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CASR P41180 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL5018189 0.92 PSMB5 (0.46) PSMB5RXFP1PSMB1MEN1KMT2A
SCHEMBL5018513 0.89 PSMB5 (0.44) PSMB5RXFP1PSMB1MEN1KMT2A
SCHEMBL5024429 0.88 PSMB5 (0.47) PSMB5RXFP1PSMB1MEN1KMT2A
SCHEMBL5018474 0.87 PSMB5 (0.42) PSMB5RXFP1PSMB1MEN1KMT2A
SCHEMBL13365534 0.87 KMT2A (0.49) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12475334 0.86 SLC1A3 (0.37) CALCRLHDAC4MEF2D
SCHEMBL12475350 0.86 SLC1A3 (0.37) CALCRLHDAC4MEF2D
SCHEMBL5019034 0.85 PSMB5 (0.44) PSMB5RXFP1PSMB1MEN1KMT2A
SCHEMBL5018592 0.85 PSMB5 (0.44) PSMB5RXFP1PSMB1MEN1KMT2A
SCHEMBL13365398 0.85 PSMB5 (0.44) PSMB5RXFP1PSMB1MEN1KMT2A

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 PSMB5 865/4885RXFP1 4359/4885PSMB1 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.