SCHEMBL3018189

SCHEMBL3018189

CCOCc1ccc(C#Cc2ccc(C(=O)N[C@H](C(=O)OC)[C@@H](C)NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 3/20 0.37
PIN1 Q13526 1/20 0.36
EPHX2 P34913 1/20 0.36
TNF P01375 1/20 0.36
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
SCHEMBL13984856 0.92 KMT2A (0.39) KMT2ACASP3PIN1EPHX2TNF
SCHEMBL15375667 0.92 ACACB (0.39) ACACBKMT2ACASP3PIN1TLR2
SCHEMBL15375666 0.92 ACACB (0.39) ACACBKMT2ACASP3PIN1TLR2
SCHEMBL3018006 0.90 KMT2A (0.40) ACACBKMT2ACASP3PIN1
SCHEMBL3012552 0.90 CASP3 (0.43) KMT2ACASP3PIN1
SCHEMBL3802721 0.89 KMT2A (0.44) ACACBKMT2ACASP3PIN1EPHX2
SCHEMBL3015812 0.89 KMT2A (0.44) ACACBKMT2ACASP3PIN1EPHX2
SCHEMBL3018948 0.87 KMT2A (0.43) KMT2ACASP3PIN1
SCHEMBL3808020 0.87 KMT2A (0.43) KMT2ACASP3PIN1
SCHEMBL15375665 0.87 KMT2A (0.38) ACACBKMT2ACASP3PIN1TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ACACB 3224/4885KMT2A 4779/4885CASP3 122/4885

“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.