SCHEMBL3013545

SCHEMBL3013545

CC(C)(C)OC(=O)NCc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
NR1H4 Q96RI1 4/20 0.51
EPHX2 P34913 3/20 0.51
NAMPT P43490 2/20 0.50
PTPN11 Q06124 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
HDAC1 Q13547 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ACACB O00763 1/20 0.47
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MMP8 P22894 1/20 0.44

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
SCHEMBL133327 0.92 KMT2A (0.60) KMT2ANR1H4EPHX2NAMPTHDAC1
SCHEMBL3007876 0.88 NAMPT (0.49) KMT2AEPHX2NAMPTPTPN11HDAC1
SCHEMBL23959162 0.87 HDAC1 (0.61) KMT2ANR1H4EPHX2NAMPTHDAC1
SCHEMBL24837823 0.85 L3MBTL1 (0.50) EPHX2NAMPTPTPN11HDAC1L3MBTL1
SCHEMBL4457324 0.84 KMT2A (0.51) KMT2ANR1H4EPHX2NAMPTHDAC1
SCHEMBL7231271 0.83 PTPN11 (0.70) NR1H4EPHX2PTPN11RARBRARG
Dimethylformamide SCHEMBL28335949 0.83 NR1H4 (0.50) KMT2ANR1H4EPHX2NAMPTHDAC1
SCHEMBL3180689 0.82 L3MBTL1 (0.61) NAMPTHDAC1L3MBTL1GAAMAPT
SCHEMBL24891652 0.82 NAMPT (0.66) KMT2ANR1H4EPHX2NAMPTHDAC1
SCHEMBL6210822 0.81 L3MBTL1 (0.52) EPHX2NAMPTPTPN11HDAC1L3MBTL1

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 12 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-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-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP 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
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
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 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 (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 KMT2A 4779/4885NR1H4 379/4885EPHX2 2129/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KMT2A 4779/4885NR1H4 379/4885EPHX2 2129/4885

“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.