SCHEMBL3017639

SCHEMBL3017639

C#Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.60
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.47
BCHE P06276 1/20 0.43
MAOB P27338 1/20 0.43
FABP7 O15540 2/20 0.42
FABP5 Q01469 2/20 0.42
CASP3 P42574 2/20 0.41

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
SCHEMBL8366872 0.85 EPHX2 (0.75) EPHX2KMT2AMEN1BCHEMAOB
SCHEMBL17151439 0.84 EPHX2 (0.74) EPHX2KMT2AMAOBFABP7FABP5
SCHEMBL30094161 0.84 EPHX2 (0.74) EPHX2KMT2AMAOBFABP7FABP5
SCHEMBL38658529 0.83 EPHX2 (0.64) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL9632825 0.83 EPHX2 (0.64) EPHX2KMT2AMEN1FABP7FABP5
SCHEMBL8472723 0.83 EPHX2 (0.64) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL14647849 0.83 EPHX2 (0.64) EPHX2KMT2AMEN1FABP7FABP5
SCHEMBL8366871 0.83 EPHX2 (0.64) EPHX2KMT2ACASP3
SCHEMBL14913645 0.83 EPHX2 (0.64) EPHX2KMT2AMEN1MAOBFABP7
SCHEMBL694267 0.83 EPHX2 (0.64) EPHX2KMT2AFABP7FABP5CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625218-B1 PROCESS FOR HYDROCYANATION OF TERMINAL ALKYNES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-01 EP disclosed
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-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
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
CN-101765585-A Antibacterial agent ACHAOGEN INC 2010-06-30 CN disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP 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 EPHX2 2129/4885KMT2A 4779/4885MEN1 2420/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 EPHX2 2129/4885KMT2A 4779/4885MEN1 2420/4885

“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.