SCHEMBL3010792

SCHEMBL3010792

COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(I)cc1N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.38
SYK P43405 1/20 0.38
KLK5 Q9Y337 1/20 0.37
LNPEP Q9UIQ6 2/20 0.35
SERPINE1 P05121 1/20 0.35
ERAP1 Q9NZ08 1/20 0.34
BCL2L1 Q07817 2/20 0.33
KCNA5 P22460 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL3010790 1.00 AAK1 (0.38) AAK1SYKKLK5LNPEPSERPINE1
SCHEMBL401150 0.82 FOLH1 (0.45) SYKKLK5SERPINE1HDAC1
SCHEMBL14400849 0.82 FOLH1 (0.45) SYKKLK5SERPINE1HDAC1
SCHEMBL13244855 0.79 LNPEP (0.37) LNPEPERAP1BCL2L1FNTAFNTB
SCHEMBL13984521 0.79 LNPEP (0.37) LNPEPERAP1BCL2L1FNTAFNTB
SCHEMBL5416800 0.77 TDP1 (0.40) LNPEPERAP1ATMTDP1
SCHEMBL27783846 0.75 KLK5 (0.38) AAK1SYKKLK5SERPINE1ATM
SCHEMBL17975513 0.74 HDAC1 (0.35) AAK1KCNA5HDAC1
SCHEMBL24130603 0.74 KLK5 (0.41) SYKKLK5SERPINE1TDP1
SCHEMBL20479738 0.73 CTSK (0.49) SYKKLK5TDP1

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 10 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-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
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 AAK1 4200/4885SYK 3106/4885KLK5 2285/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 AAK1 4200/4885SYK 3106/4885KLK5 2285/4885

“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.