SCHEMBL5019160

SCHEMBL5019160

N[C@@H](CC(=O)N1C[C@H](N)[C@@H](N)C1)C(=O)NC(CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.44
PSMB1 P20618 2/20 0.43
UBE2M P61081 5/20 0.42
DCUN1D1 Q96GG9 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
XBP1 P17861 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
IDO1 P14902 1/20 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
SCHEMBL5019163 1.00 PSMB5 (0.44) PSMB5PSMB1UBE2MDCUN1D1MEN1
SCHEMBL5026016 1.00 PSMB5 (0.44) PSMB5PSMB1UBE2MDCUN1D1MEN1
SCHEMBL5018704 1.00 PSMB5 (0.44) PSMB5PSMB1UBE2MDCUN1D1MEN1
SCHEMBL10271625 1.00 PSMB5 (0.44) PSMB5PSMB1UBE2MDCUN1D1MEN1
SCHEMBL13365585 1.00 PSMB5 (0.44) PSMB5PSMB1UBE2MDCUN1D1MEN1
SCHEMBL5018688 1.00 PSMB5 (0.44) PSMB5PSMB1UBE2MDCUN1D1MEN1
SCHEMBL5018626 0.91 DCUN1D1 (0.46) PSMB5PSMB1UBE2MDCUN1D1ALDH1A1
SCHEMBL5024445 0.91 DCUN1D1 (0.46) PSMB5PSMB1UBE2MDCUN1D1ALDH1A1
SCHEMBL5019162 0.91 DCUN1D1 (0.46) PSMB5PSMB1UBE2MDCUN1D1ALDH1A1
SCHEMBL5018475 0.90 DCUN1D1 (0.44) PSMB5PSMB1UBE2MDCUN1D1ALDH1A1

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 865/4885PSMB1 556/4885UBE2M 1812/4885

“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.