SCHEMBL3017136

SCHEMBL3017136

O=C(O)c1ccc(C#C/C(F)=C\c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.46
MMP2 P08253 5/20 0.46
MMP9 P14780 5/20 0.46
MMP8 P22894 5/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HPGD P15428 2/20 0.45
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3017132 1.00 MMP13 (0.46) MMP13MMP2MMP9MMP8HRH3
SCHEMBL3022510 1.00 MMP13 (0.46) MMP13MMP2MMP9MMP8HRH3
SCHEMBL3017138 1.00 MMP13 (0.46) MMP13MMP2MMP9MMP8HRH3
SCHEMBL3022507 1.00 MMP13 (0.46) MMP13MMP2MMP9MMP8HRH3
SCHEMBL13267200 0.88 HRH3 (0.47) MMP13MMP2MMP8HRH3HIF1A
SCHEMBL3020196 0.88 SMN1; SMN2 (0.56) MMP13MMP2MMP9MMP8HIF1A
SCHEMBL13245266 0.88 SMN1; SMN2 (0.56) MMP13MMP2MMP9MMP8HIF1A
SCHEMBL3020195 0.88 SMN1; SMN2 (0.56) MMP13MMP2MMP9MMP8HIF1A
SCHEMBL3011672 0.86 HRH3 (0.47) MMP13MMP2MMP9MMP8HRH3
SCHEMBL3011671 0.86 HRH3 (0.47) MMP13MMP2MMP9MMP8HRH3

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 7 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
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

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 MMP13 2049/4885MMP2 446/4885MMP9 1285/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 MMP13 2049/4885MMP2 446/4885MMP9 1285/4885

“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.