SCHEMBL12475173

SCHEMBL12475173

NCCN(CCN)C(=O)CCC(N)C(=O)NC(CCc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(B(O)O)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 6/20 0.33
ERAP2 Q6P179 4/20 0.33
UTS2R Q9UKP6 3/20 0.33
MCHR1 Q99705 4/20 0.32
ERAP1 Q9NZ08 3/20 0.32
PLK1 P53350 1/20 0.32
MCL1 Q07820 1/20 0.32
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL12475167 1.00 LNPEP (0.33) LNPEPERAP2UTS2RMCHR1ERAP1
SCHEMBL12475177 0.89 MCHR1 (0.33) LNPEPERAP2UTS2RMCHR1ERAP1
SCHEMBL12475079 0.89 KIF11 (0.33) LNPEPERAP2UTS2RMCHR1ERAP1
SCHEMBL12475169 0.89 MCHR1 (0.33) LNPEPERAP2UTS2RMCHR1ERAP1
SCHEMBL12475364 0.89 MCHR1 (0.36) UTS2RMCHR1
SCHEMBL12475078 0.89 MCHR1 (0.36) UTS2RMCHR1
SCHEMBL12475085 0.89 MCHR1 (0.36) UTS2RMCHR1
SCHEMBL12475353 0.89 MCHR1 (0.36) UTS2RMCHR1
SCHEMBL12475086 0.89 KIF11 (0.33) LNPEPERAP2UTS2RMCHR1ERAP1
SCHEMBL12475103 0.87 MCHR1 (0.32) LNPEPERAP2UTS2RMCHR1ERAP1

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 LNPEP 593/4885ERAP2 559/4885UTS2R 2287/4885

“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.