SCHEMBL3013541

SCHEMBL3013541

CC(C)(C)OC(=O)C(N)c1ccc(C#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.51
RARG P13631 6/20 0.51
ACACB O00763 2/20 0.39
PTPN11 Q06124 2/20 0.39
ANPEP P15144 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
RARA P10276 3/20 0.38
CYP26A1 O43174 1/20 0.38
CYP3A4 P08684 1/20 0.38
CRABP2 P29373 1/20 0.38
MAPT P10636 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
FFAR1 O14842 1/20 0.35
SRD5A2 P31213 1/20 0.34

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
SCHEMBL506934 0.91 ANPEP (0.45) RARBRARGANPEPMAPTNR1H4
SCHEMBL6210819 0.81 LMNA (0.38) ACACBPTPN11GABRA1GABRG2GABRB3
SCHEMBL2874909 0.80 CPT1B (0.39) ANPEPMAPTKMT2A
SCHEMBL5733009 0.80 GSK3B (0.40) MAPT
SCHEMBL852056 0.77 PARP15 (0.44) MAPTFFAR1SRD5A2KMT2A
SCHEMBL30065221 0.77 L3MBTL1 (0.45) MAPTKMT2A
SCHEMBL594359 0.77 L3MBTL1 (0.45) MAPTKMT2A
SCHEMBL305032 0.77 L3MBTL1 (0.45) MAPTKMT2A
SCHEMBL2569650 0.77 MAPT (0.45) MAPT
SCHEMBL9995953 0.76 MIF (0.40) CYP3A4MAPTKMT2A

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
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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 (2 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 RARB 1644/4885RARG 2102/4885ACACB 3224/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 RARB 1644/4885RARG 2102/4885ACACB 3224/4885

“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.