SCHEMBL5019030

SCHEMBL5019030

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.57
PSMB1 P20618 3/20 0.54
CTNNB1 P35222 3/20 0.51
IDO1 P14902 1/20 0.49
STAT3 P40763 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MME P08473 1/20 0.46
FPR2 P25090 1/20 0.44
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44

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
SCHEMBL5025229 0.87 PSMB5 (0.52) PSMB5PSMB1CTNNB1IDO1STAT3
SCHEMBL5019127 0.87 PSMB5 (0.50) PSMB5PSMB1CTNNB1IDO1STAT3
SCHEMBL5019079 0.85 PSMB5 (0.51) PSMB5PSMB1CTNNB1IDO1STAT3
SCHEMBL5019029 0.84 PSMB5 (0.47) PSMB5PSMB1CTNNB1IDO1STAT3
SCHEMBL5019075 0.79 PSMB5 (0.48) PSMB5PSMB1CTNNB1IDO1STAT3
SCHEMBL5018640 0.77 PSMB5 (0.49) PSMB5PSMB1IDO1STAT3SMN1; SMN2
SCHEMBL5018524 0.77 PSMB5 (0.49) PSMB5PSMB1CTNNB1IDO1STAT3
SCHEMBL5019069 0.76 PSMB5 (0.47) PSMB5PSMB1CTNNB1IDO1STAT3
SCHEMBL5019066 0.75 PSMB5 (0.51) PSMB5PSMB1IDO1STAT3SMN1; SMN2
SCHEMBL5019067 0.75 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2

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 556/4885CTNNB1 4592/4885

“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.