SCHEMBL5018640

SCHEMBL5018640

NCC(CN)NC(=O)C[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)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
PSMB1 P20618 3/20 0.47
IDO1 P14902 1/20 0.44
STAT3 P40763 1/20 0.44
SLC1A3 P43003 3/20 0.43
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 3/20 0.43
MME P08473 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL5018690 0.86 PSMB5 (0.47) PSMB5PSMB1IDO1STAT3SLC1A3
SCHEMBL5018449 0.85 PSMB5 (0.46) PSMB5PSMB1IDO1STAT3SLC1A3
Hydrochloric Acid SCHEMBL2747285 0.85 PSMB5 (0.46) PSMB5PSMB1IDO1STAT3SLC1A3
SCHEMBL5018301 0.83 BDKRB2 (0.44) ALDH1A1
SCHEMBL5019127 0.80 PSMB5 (0.50) PSMB5PSMB1IDO1STAT3MME
SCHEMBL5019067 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL5019030 0.77 PSMB5 (0.57) PSMB5PSMB1IDO1STAT3MME
SCHEMBL5018524 0.76 PSMB5 (0.49) PSMB5PSMB1IDO1STAT3ALDH1A1
SCHEMBL5018504 0.75 PSMB5 (0.45) PSMB5PSMB1IDO1STAT3MEN1
SCHEMBL7345566 0.74 PSMB5 (0.55) PSMB5PSMB1IDO1STAT3MME

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 4 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

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 556/4885IDO1 4219/4885

“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.