SCHEMBL16620664

SCHEMBL16620664

CCCC(=O)NC(CCC(=O)NCC)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 11/20 0.61
▸ MMP2 P08253 2/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ FOLH1 Q04609 1/20 0.44
▸ RIMKLA Q8IXN7 1/20 0.44
▸ NAALAD2 Q9Y3Q0 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ GLP1R P43220 3/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL16621423 0.88 NOD1 (0.79) NOD1FAAHGLP1RSLC6A5
SCHEMBL16620474 0.87 NOD1 (0.82) NOD1FAAHGLP1RSLC6A5
SCHEMBL12807270 0.87 NOD1 (0.82) NOD1FAAHGLP1RSLC6A5
SCHEMBL15002725 0.87 NOD1 (0.82) NOD1FAAHGLP1RSLC6A5
SCHEMBL13640755 0.87 NOD1 (0.82) NOD1FAAHGLP1RSLC6A5
SCHEMBL21360278 0.86 FOLH1 (0.58) NOD1FOLH1RIMKLANAALAD2
SCHEMBL15451426 0.86 NOD1 (0.61) NOD1FOLH1RIMKLANAALAD2SLC6A5
SCHEMBL9005518 0.85 FOLH1 (0.62) NOD1FOLH1RIMKLANAALAD2
SCHEMBL20539229 0.85 FOLH1 (0.62) NOD1FOLH1RIMKLANAALAD2
SCHEMBL9005526 0.85 FOLH1 (0.62) NOD1FOLH1RIMKLANAALAD2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10834951-B2 Organic compounds GIVAUDAN S.A. (CH) 2020-11-17 — — US claimed
EP-3057449-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-02-28 — — EP claimed
US-20170258122-A1 Organic Compounds GIVAUDAN S.A. (CH) 2017-09-14 — — US claimed
EP-3057449-A1 ORGANIC COMPOUNDS Givaudan S.A. (CH) 2016-08-24 — — EP claimed
WO-2015050535-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2015-04-09 — — WO claimed
WO-2015049294-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2015-04-09 — — WO claimed
US-10834951-B2 Organic compounds GIVAUDAN S.A. (CH) 2020-11-17 — — US disclosed
CN-105592721-B Organic compounds 奇华顿股份有限公司 2020-03-17 — — CN disclosed
EP-3057449-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-02-28 — — EP disclosed
US-20170258122-A1 Organic Compounds GIVAUDAN S.A. (CH) 2017-09-14 — — US disclosed
EP-3057449-A1 ORGANIC COMPOUNDS Givaudan S.A. (CH) 2016-08-24 — — EP disclosed
CN-105592721-A Organic compounds GIVAUDAN SA 2016-05-18 — — CN disclosed
WO-2015050535-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2015-04-09 — — WO disclosed
WO-2015049294-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2015-04-09 — — 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-10834951-B2 Organic compounds CBR3, C9, AOC2 NOD1 1614/4885MMP2 4040/4885MMP9 3961/4885
US-20170258122-A1 Organic Compounds CBR3, C9, AOC2 NOD1 1614/4885MMP2 4040/4885MMP9 3961/4885

“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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