SCHEMBL12475103

SCHEMBL12475103

NCCN(CCN)C(=O)CC[C@H](N)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(B(O)O)cc(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.32
LNPEP Q9UIQ6 4/20 0.32
ERAP2 Q6P179 3/20 0.32
ERAP1 Q9NZ08 2/20 0.32
UTS2R Q9UKP6 3/20 0.31
EPHX2 P34913 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
SCHEMBL12475113 1.00 MCHR1 (0.32) MCHR1LNPEPERAP2ERAP1UTS2R
SCHEMBL12475177 0.91 MCHR1 (0.33) MCHR1LNPEPERAP2ERAP1UTS2R
SCHEMBL12475169 0.91 MCHR1 (0.33) MCHR1LNPEPERAP2ERAP1UTS2R
SCHEMBL12475086 0.91 KIF11 (0.33) MCHR1LNPEPERAP2ERAP1UTS2R
SCHEMBL12475079 0.91 KIF11 (0.33) MCHR1LNPEPERAP2ERAP1UTS2R
SCHEMBL12475210 0.88 MCHR1 (0.33) MCHR1UTS2R
SCHEMBL12475228 0.88 MCHR1 (0.33) MCHR1UTS2R
SCHEMBL12475049 0.87 CTNNB1 (0.33) MCHR1UTS2R
SCHEMBL12475046 0.87 CTNNB1 (0.33) MCHR1UTS2R
SCHEMBL12475167 0.87 LNPEP (0.33) MCHR1LNPEPERAP2ERAP1UTS2R

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 7 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
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
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 2689/4885LNPEP 593/4885ERAP2 559/4885

“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.