SCHEMBL5018449

SCHEMBL5018449

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.46
PSMB1 P20618 2/20 0.44
SLC1A3 P43003 3/20 0.44
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.43
XBP1 P17861 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPT P10636 4/20 0.43
RXFP1 Q9HBX9 2/20 0.43
IDO1 P14902 1/20 0.43
STAT3 P40763 1/20 0.43

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
Hydrochloric Acid SCHEMBL2747285 0.99 PSMB5 (0.46) PSMB5PSMB1SLC1A3SLC1A2SLC1A1
SCHEMBL5025968 0.88 PSMB5 (0.48) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5018433 0.86 PSMB5 (0.47) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2747287 0.85 PSMB5 (0.49) PSMB5PSMB1SLC1A3SLC1A2SLC1A1
SCHEMBL5024429 0.85 PSMB5 (0.47) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5018640 0.85 PSMB5 (0.49) PSMB5PSMB1SLC1A3SLC1A2SLC1A1
SCHEMBL5018189 0.85 PSMB5 (0.46) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL13365608 0.85 PSMB5 (0.47) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5018384 0.85 PSMB5 (0.47) PSMB5PSMB1MEN1KMT2ASMN1; SMN2
SCHEMBL5018709 0.85 PSMB5 (0.47) 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 556/4885SLC1A3 2094/4885

“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.