SCHEMBL5018619

SCHEMBL5018619

NCCN(CCN)C(=O)[C@@H]1CN[C@H](C(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.42
IDO1 P14902 1/20 0.41
STAT3 P40763 1/20 0.41
PSMB1 P20618 3/20 0.40
F2 P00734 2/20 0.40
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
LMNA P02545 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5019123 0.84 PSMB5 (0.42) PSMB5IDO1STAT3PSMB1ITGB1
SCHEMBL10271682 0.80 MCL1 (0.40) PSMB5PSMB1PLGPRSS1PRSS2
SCHEMBL5018524 0.74 PSMB5 (0.49) PSMB5IDO1STAT3PSMB1SMN1; SMN2
SCHEMBL5019075 0.73 PSMB5 (0.48) PSMB5IDO1STAT3PSMB1SMN1; SMN2
SCHEMBL5018690 0.72 PSMB5 (0.47) PSMB5IDO1STAT3PSMB1SMN1; SMN2
SCHEMBL5019089 0.72 PSMB5 (0.48) PSMB5IDO1STAT3PSMB1ITGB1
SCHEMBL5018627 0.71 PSMB5 (0.43) PSMB5IDO1STAT3PSMB1PLG
SCHEMBL5018504 0.70 PSMB5 (0.45) PSMB5IDO1STAT3PSMB1
SCHEMBL5025306 0.70 PSMB5 (0.45) PSMB5PSMB1
SCHEMBL5019124 0.69 PSMB5 (0.45) PSMB5IDO1STAT3PSMB1LMNA

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 865/4885IDO1 4219/4885STAT3 4001/4885

“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.