SCHEMBL12475353

SCHEMBL12475353

NCCN(CCN)C(=O)CC[C@H](N)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(B(O)O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.36
UTS2R Q9UKP6 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL12475364 1.00 MCHR1 (0.36) MCHR1UTS2RS1PR1S1PR3
SCHEMBL12475078 0.94 MCHR1 (0.36) MCHR1UTS2R
SCHEMBL12475085 0.94 MCHR1 (0.36) MCHR1UTS2R
SCHEMBL12475213 0.91 UTS2R (0.33) MCHR1UTS2RS1PR1S1PR3
SCHEMBL12475226 0.91 UTS2R (0.33) MCHR1UTS2RS1PR1S1PR3
SCHEMBL12475173 0.89 LNPEP (0.33) MCHR1UTS2R
SCHEMBL12475167 0.89 LNPEP (0.33) MCHR1UTS2R
SCHEMBL12475334 0.87 SLC1A3 (0.37) MCHR1S1PR1
SCHEMBL12475350 0.87 SLC1A3 (0.37) MCHR1S1PR1
SCHEMBL12475082 0.87 CTNNB1 (0.36)

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 2689/4885UTS2R 2287/4885S1PR1 3529/4885

“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.