SCHEMBL3008053

SCHEMBL3008053

COC(=O)C(NC(=O)c1ccc(C#Cc2ccc(C=O)cc2)cc1)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.41
KMT2A Q03164 1/20 0.39
PIN1 Q13526 1/20 0.38
EPHX2 P34913 1/20 0.36

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
SCHEMBL13984775 1.00 CASP3 (0.41) CASP3KMT2APIN1EPHX2
SCHEMBL13267279 0.92 CASP3 (0.42) CASP3KMT2APIN1EPHX2
SCHEMBL3012552 0.92 CASP3 (0.43) CASP3KMT2APIN1
SCHEMBL3808020 0.89 KMT2A (0.43) CASP3KMT2APIN1
SCHEMBL3018948 0.89 KMT2A (0.43) CASP3KMT2APIN1
SCHEMBL3018006 0.89 KMT2A (0.40) CASP3KMT2APIN1
SCHEMBL3802721 0.88 KMT2A (0.44) CASP3KMT2APIN1EPHX2
SCHEMBL3015812 0.88 KMT2A (0.44) CASP3KMT2APIN1EPHX2
SCHEMBL3013897 0.86 CASP3 (0.40) CASP3KMT2APIN1
SCHEMBL3013895 0.86 CASP3 (0.40) CASP3KMT2APIN1

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 CASP3 122/4885KMT2A 4779/4885PIN1 566/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 CASP3 122/4885KMT2A 4779/4885PIN1 566/4885

“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.