SCHEMBL255199

SCHEMBL255199

COC(=O)[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
LNPEP Q9UIQ6 1/20 0.47
ACACB O00763 1/20 0.46

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
SCHEMBL13654190 1.00 GRM5 (0.51) GRM5LNPEPACACB
SCHEMBL403799 1.00 GRM5 (0.51) GRM5LNPEPACACB
SCHEMBL12380354 0.95 GRM5 (0.46) GRM5LNPEP
SCHEMBL13654210 0.95 GRM5 (0.46) GRM5LNPEP
SCHEMBL1105511 0.95 GRM5 (0.46) GRM5LNPEP
SCHEMBL22769302 0.88 TAS1R3 (0.45) ACACB
SCHEMBL22769303 0.88 TAS1R3 (0.45) ACACB
SCHEMBL22779066 0.88 ACACB (0.47) LNPEPACACB
SCHEMBL22769341 0.88 TAS1R3 (0.48) LNPEPACACB
SCHEMBL21258371 0.88 TAS1R3 (0.48) LNPEPACACB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US 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 (8 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS GRM5 4653/4885LNPEP 1007/4885ACACB 3199/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS GRM5 4653/4885LNPEP 1007/4885ACACB 3199/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS GRM5 4653/4885LNPEP 1007/4885ACACB 3199/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GRM5 4653/4885LNPEP 1007/4885ACACB 3199/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GRM5 4653/4885LNPEP 1007/4885ACACB 3199/4885
US-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX GRM5 4497/4885LNPEP 1338/4885ACACB 2488/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS GRM5 4653/4885LNPEP 1007/4885ACACB 3199/4885
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES Q6ZSR9, EPX, ZYX GRM5 4497/4885LNPEP 1338/4885ACACB 2488/4885

“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.