SCHEMBL12475228

SCHEMBL12475228

NCCN(CCN)C(=O)CCC(N)C(=O)NC(CCc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(F)cc(B(O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.33
MAPK14 Q16539 1/20 0.32
CTNNB1 P35222 2/20 0.32
UTS2R Q9UKP6 3/20 0.31
CALCRL Q16602 1/20 0.30

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
SCHEMBL12475210 1.00 MCHR1 (0.33) MCHR1MAPK14CTNNB1UTS2RCALCRL
SCHEMBL12475046 0.94 CTNNB1 (0.33) MCHR1CTNNB1UTS2RCALCRL
SCHEMBL12475049 0.94 CTNNB1 (0.33) MCHR1CTNNB1UTS2RCALCRL
SCHEMBL16384596 0.92 CTNNB1 (0.32) MCHR1CTNNB1UTS2RCALCRL
SCHEMBL12475334 0.90 SLC1A3 (0.37) MCHR1CTNNB1CALCRL
SCHEMBL12475350 0.90 SLC1A3 (0.37) MCHR1CTNNB1CALCRL
SCHEMBL12475103 0.88 MCHR1 (0.32) MCHR1UTS2R
SCHEMBL12475213 0.88 UTS2R (0.33) MCHR1CTNNB1UTS2R
SCHEMBL12475113 0.88 MCHR1 (0.32) MCHR1UTS2R
SCHEMBL12475226 0.88 UTS2R (0.33) MCHR1CTNNB1UTS2R

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 MCHR1 2689/4885MAPK14 1977/4885CTNNB1 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.