SCHEMBL16620949

SCHEMBL16620949

CCNC(=O)CCC(NC(=O)C(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 7/20 0.47
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ FOLH1 Q04609 4/20 0.43
▸ NAALAD2 Q9Y3Q0 2/20 0.43
▸ RIMKLA Q8IXN7 1/20 0.43
▸ CAPN1 P07384 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ FAAH O00519 1/20 0.39

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
SCHEMBL5971412 0.83 NOD1 (0.46) NOD1MMP2MMP9FOLH1NAALAD2
SCHEMBL29362117 0.82 NOD1 (0.50) NOD1MMP2MMP9FOLH1NAALAD2
SCHEMBL12983544 0.82 NOD1 (0.50) NOD1MMP2MMP9FOLH1NAALAD2
SCHEMBL21034479 0.82 FAAH (0.41) NOD1MMP2MMP9CAPN1ALDH1A1
SCHEMBL15846337 0.82 FOLH1 (0.64) FOLH1NAALAD2RIMKLA
SCHEMBL15846336 0.82 FOLH1 (0.64) FOLH1NAALAD2RIMKLA
SCHEMBL5971089 0.82 NOD1 (0.48) NOD1MMP2MMP9FOLH1CAPN1
SCHEMBL5970398 0.82 NOD1 (0.45) NOD1MMP2MMP9FOLH1
SCHEMBL15451409 0.81 NOD1 (0.50) NOD1MMP2MMP9FOLH1NAALAD2
SCHEMBL16620664 0.81 NOD1 (0.61) NOD1MMP2MMP9FOLH1NAALAD2

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 13 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
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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