SCHEMBL3007221

SCHEMBL3007221

O=C(N[C@H](C(=O)NO)c1ccccc1)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.54
▸ EPAS1 Q99814 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ MMP2 P08253 2/20 0.51
▸ MMP9 P14780 2/20 0.51
▸ MMP8 P22894 2/20 0.51
▸ MMP13 P45452 2/20 0.51

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
SCHEMBL3007224 1.00 HIF1A (0.54) HIF1AEPAS1ALDH1A1MMP2MMP9
SCHEMBL13984818 0.91 HIF1A (0.57) HIF1AEPAS1ALDH1A1
SCHEMBL13267167 0.91 HIF1A (0.57) HIF1AEPAS1ALDH1A1
SCHEMBL13245281 0.90 HIF1A (0.47) HIF1AEPAS1ALDH1A1
SCHEMBL28847817 0.89 HIF1A (0.55) HIF1AEPAS1ALDH1A1
SCHEMBL13267197 0.89 HIF1A (0.55) HIF1AEPAS1ALDH1A1
SCHEMBL13244790 0.87 HIF1A (0.53) HIF1AEPAS1ALDH1A1
SCHEMBL15382489 0.87 HIF1A (0.53) HIF1AEPAS1ALDH1A1
SCHEMBL13244726 0.87 MMP13 (0.48) MMP2MMP9MMP8MMP13
SCHEMBL13244724 0.85 MMP13 (0.48) MMP2MMP9MMP8MMP13

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 9 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-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
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 HIF1A 2073/4885EPAS1 3545/4885ALDH1A1 687/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HIF1A 2073/4885EPAS1 3545/4885ALDH1A1 687/4885

“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.

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