SCHEMBL12475186

SCHEMBL12475186

NCCN(CCN)C(=O)CC(N)C(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(B(O)O)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.35
IDO1 P14902 2/20 0.35
CTNNB1 P35222 2/20 0.35
FPR2 P25090 1/20 0.34
PSMB1 P20618 2/20 0.34
STAT3 P40763 1/20 0.33
CSK P41240 1/20 0.32
PTPN1 P18031 2/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
PTPN2 P17706 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL12475178 1.00 PSMB5 (0.35) PSMB5IDO1CTNNB1FPR2PSMB1
SCHEMBL12475249 1.00 PSMB5 (0.35) PSMB5IDO1CTNNB1FPR2PSMB1
SCHEMBL16384176 0.93 IDO1 (0.34) PSMB5IDO1CTNNB1FPR2PSMB1
SCHEMBL12475180 0.92 CTNNB1 (0.37) PSMB5IDO1CTNNB1FPR2PSMB1
SCHEMBL12475174 0.92 CTNNB1 (0.37) PSMB5IDO1CTNNB1FPR2PSMB1
SCHEMBL12475049 0.85 CTNNB1 (0.33) CTNNB1
SCHEMBL12475046 0.85 CTNNB1 (0.33) CTNNB1
SCHEMBL16384606 0.85 CTNNB1 (0.36) PSMB5IDO1CTNNB1FPR2PSMB1
SCHEMBL12475272 0.83 CTNNB1 (0.39) PSMB5IDO1CTNNB1FPR2PSMB1
SCHEMBL12475265 0.83 CTNNB1 (0.39) PSMB5IDO1CTNNB1FPR2PSMB1

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
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
EP-2673281-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
US-20130316943-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2013-11-28 US disclosed
WO-2012109164-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-08-16 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-20130316943-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 PSMB5 1203/4885IDO1 3522/4885CTNNB1 4064/4885

“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.