SCHEMBL3015812

SCHEMBL3015812

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
CASP3 P42574 3/20 0.41
PIN1 Q13526 1/20 0.39
ACACB O00763 2/20 0.38
EPHX2 P34913 1/20 0.38
TLR2 O60603 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
SCHEMBL3802721 1.00 KMT2A (0.44) KMT2ACASP3PIN1ACACBEPHX2
SCHEMBL3018006 0.92 KMT2A (0.40) KMT2ACASP3PIN1ACACB
SCHEMBL15382417 0.92 KMT2A (0.43) KMT2ACASP3PIN1EPHX2
SCHEMBL3012552 0.92 CASP3 (0.43) KMT2ACASP3PIN1
SCHEMBL3018948 0.91 KMT2A (0.43) KMT2ACASP3PIN1
SCHEMBL3808020 0.91 KMT2A (0.43) KMT2ACASP3PIN1
SCHEMBL3018189 0.89 ACACB (0.40) KMT2ACASP3PIN1ACACBEPHX2
SCHEMBL3008313 0.88 ACACB (0.40) KMT2ACASP3PIN1ACACB
SCHEMBL13984775 0.88 CASP3 (0.41) KMT2ACASP3PIN1EPHX2
SCHEMBL3008053 0.88 CASP3 (0.41) KMT2ACASP3PIN1EPHX2

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