SCHEMBL5019063

SCHEMBL5019063

CNC[C@@H](NC)C(=O)NC[C@H](NC)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PSMB1 P20618 3/20 0.47
RXFP1 Q9HBX9 1/20 0.43
IDO1 P14902 1/20 0.43
STAT3 P40763 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42

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
SCHEMBL5019066 0.87 PSMB5 (0.51) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5019079 0.87 PSMB5 (0.51) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13290352 0.84 CTSS (0.55) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5024244 0.84 CTSS (0.55) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13290795 0.82 PSMB5 (0.55) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2748789 0.81 MAPT (0.51) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13365608 0.80 PSMB5 (0.47) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5018709 0.80 PSMB5 (0.47) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5018384 0.80 PSMB5 (0.47) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5019036 0.80 PSMB5 (0.53) PSMB5MEN1KMT2ASMN1; SMN2ALDH1A1

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 865/4885MEN1 4473/4885KMT2A 3928/4885

“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.