SCHEMBL3016266

SCHEMBL3016266

Cc1cc(N2CCOCC2)ccc1C#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 8/20 0.50
▸ MMP9 P14780 5/20 0.50
▸ MMP13 P45452 6/20 0.48
▸ MMP3 P08254 4/20 0.48
▸ AIMP2 Q13155 1/20 0.46
▸ MMP10 P09238 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ ACACB O00763 1/20 0.44
▸ ADAMTS7 Q9UKP4 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ AVPR1B P47901 1/20 0.42
▸ ADAM33 Q9BZ11 1/20 0.40

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 0.81 MMP2 (0.58) MMP2MMP9MMP13MMP3MMP10
SCHEMBL3016012 0.81 MMP2 (0.58) MMP2MMP9MMP13MMP3MMP10
SCHEMBL13244755 0.81 MMP2 (0.58) MMP2MMP9MMP13MMP3MMP10
SCHEMBL22500249 0.77 AIMP2 (0.71) MMP9AIMP2MAPTPOLB
SCHEMBL29272851 0.77 AIMP2 (0.71) MMP9AIMP2MAPTPOLB
SCHEMBL13244938 0.73 MMP2 (0.55) MMP2MMP9MMP13MMP3MMP1
SCHEMBL13984815 0.72 MMP2 (0.71) MMP2MMP9MMP13MMP3MMP10
SCHEMBL13266866 0.72 MMP2 (0.71) MMP2MMP9MMP13MMP3MMP10
SCHEMBL22500472 0.71 AIMP2 (0.65) MMP9AIMP2MAPTPOLB
SCHEMBL22500470 0.71 AIMP2 (0.65) MMP9AIMP2MAPTPOLB

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 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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