SCHEMBL3018041

SCHEMBL3018041

COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.46
KMT2A Q03164 1/20 0.45
MDM2 Q00987 1/20 0.44
PIN1 Q13526 1/20 0.43
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL21890680 1.00 CASP3 (0.46) CASP3KMT2AMDM2PIN1MDM4
SCHEMBL13366262 1.00 CASP3 (0.46) CASP3KMT2AMDM2PIN1MDM4
SCHEMBL31688935 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL30229769 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL30009709 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL24899351 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL20299865 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL20299866 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL30229458 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL2591012 0.84 CASP3 (0.58) CASP3KMT2APIN1MDM4TP53

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 14 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-8372885-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-02-12 US disclosed
US-8372885-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-02-12 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
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-05-13 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 (3 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 4779/4885MDM2 4098/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 CASP3 122/4885KMT2A 4779/4885MDM2 4098/4885
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CASP3 426/4885KMT2A 3407/4885MDM2 1226/4885

“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.