SCHEMBL3016012

SCHEMBL3016012

O=C(NO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.58
▸ MMP9 P14780 4/20 0.58
▸ MMP13 P45452 3/20 0.50
▸ MMP3 P08254 2/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ADAMTS4 O75173 1/20 0.47
▸ MMP10 P09238 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ MMP8 P22894 1/20 0.47

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
SCHEMBL3016017 1.00 MMP2 (0.58) MMP2MMP9MMP13MMP3MEN1
SCHEMBL13244755 1.00 MMP2 (0.58) MMP2MMP9MMP13MMP3MEN1
SCHEMBL13266866 0.92 MMP2 (0.71) MMP2MMP9MMP13MMP3MEN1
SCHEMBL13984815 0.92 MMP2 (0.71) MMP2MMP9MMP13MMP3MEN1
SCHEMBL13244938 0.89 MMP2 (0.55) MMP2MMP9MMP13MMP3MEN1
SCHEMBL13244941 0.89 ADAMTS4 (0.50) MMP2MMP9MMP13MMP3MEN1
SCHEMBL13244942 0.86 MMP2 (0.51) MMP2MMP13MMP3ADAMTS4MMP8
SCHEMBL13244664 0.81 ADAMTS4 (0.55) MMP9MMP13ADAMTS4MMP14MMP8
SCHEMBL3016266 0.81 MMP2 (0.50) MMP2MMP9MMP13MMP3MAPT
SCHEMBL13267482 0.80 ADAMTS4 (0.56) MMP2MMP9MMP13MMP3MEN1

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 11 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-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
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 MMP2 446/4885MMP9 1285/4885MMP13 2049/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 MMP2 446/4885MMP9 1285/4885MMP13 2049/4885

“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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