SCHEMBL5019075

SCHEMBL5019075

CN[C@H](C)C(=O)N[C@@H](CC(=O)N(CCN)CCN)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.48
PSMB1 P20618 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CTNNB1 P35222 2/20 0.40
IDO1 P14902 1/20 0.40
STAT3 P40763 1/20 0.40
TP53 P04637 2/20 0.39
XIAP P98170 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
KIFC1 Q9BW19 1/20 0.37

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
SCHEMBL5018524 0.92 PSMB5 (0.49) PSMB5PSMB1SMN1; SMN2KDM4ECTNNB1
SCHEMBL5025306 0.89 PSMB5 (0.45) PSMB5PSMB1
SCHEMBL5019069 0.85 PSMB5 (0.47) PSMB5PSMB1CTNNB1IDO1STAT3
SCHEMBL5018504 0.83 PSMB5 (0.45) PSMB5PSMB1KDM4ECTNNB1IDO1
SCHEMBL5019030 0.79 PSMB5 (0.57) PSMB5PSMB1SMN1; SMN2KDM4ECTNNB1
SCHEMBL5018280 0.77 ADCY6 (0.42) CTNNB1POLB
SCHEMBL5018690 0.77 PSMB5 (0.47) PSMB5PSMB1SMN1; SMN2CTNNB1IDO1
SCHEMBL5025300 0.77 PSMB5 (0.45) PSMB5PSMB1KIFC1
SCHEMBL5019029 0.75 PSMB5 (0.47) PSMB5PSMB1SMN1; SMN2KDM4ECTNNB1
SCHEMBL5019127 0.75 PSMB5 (0.50) PSMB5PSMB1SMN1; SMN2KDM4ECTNNB1

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 865/4885PSMB1 556/4885SMN1; SMN2 4857/4885

“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.