SCHEMBL5018709

SCHEMBL5018709

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.47
PSMB1 P20618 3/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
IDO1 P14902 1/20 0.43
STAT3 P40763 1/20 0.43
MAPT P10636 5/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
XBP1 P17861 1/20 0.42
ALOX12 P18054 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
SCHEMBL5018384 1.00 PSMB5 (0.47) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL13365608 1.00 PSMB5 (0.47) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5024429 0.88 PSMB5 (0.47) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5025968 0.87 PSMB5 (0.48) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5018449 0.85 PSMB5 (0.46) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2747285 0.84 PSMB5 (0.46) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5018433 0.83 PSMB5 (0.47) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5019066 0.83 PSMB5 (0.51) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5018189 0.82 PSMB5 (0.46) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5018568 0.81 PSMB5 (0.45) PSMB5PSMB1MEN1KMT2ASMN1; SMN2

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 865/4885PSMB1 556/4885MEN1 4473/4885

“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.