SCHEMBL3014990

SCHEMBL3014990

COC(=O)[C@@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCC3)cc2)cc1)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
POLB P06746 1/20 0.41
PIN1 Q13526 1/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL3641388 1.00 ACACB (0.41) ACACBPOLBPIN1LMNAKDM4E
SCHEMBL3021499 0.93 LMNA (0.40) ACACBPOLBPIN1LMNAKDM4E
SCHEMBL3015746 0.93 KMT2A (0.42) KMT2AHIF1AEPAS1
SCHEMBL13984836 0.93 POLB (0.42) POLBPIN1LMNAKDM4EMEN1
SCHEMBL3018006 0.88 KMT2A (0.40) ACACBPIN1KMT2A
SCHEMBL3012552 0.87 CASP3 (0.43) PIN1KMT2A
SCHEMBL3015812 0.87 KMT2A (0.44) ACACBPIN1KMT2A
SCHEMBL3802721 0.87 KMT2A (0.44) ACACBPIN1KMT2A
SCHEMBL3641392 0.86 PIN1 (0.37) ACACBPOLBPIN1KMT2ACYP2D6
SCHEMBL13266922 0.86 MCHR1 (0.43) POLBPIN1LMNAKDM4EMEN1

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 8 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
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 ACACB 3224/4885POLB 671/4885PIN1 566/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ACACB 3224/4885POLB 671/4885PIN1 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.