SCHEMBL18769028

SCHEMBL18769028

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nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 9/20 0.68
▸ SLC6A5 Q9Y345 2/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ GNPAT O15228 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ RIMKLA Q8IXN7 1/20 0.46
▸ NAALAD2 Q9Y3Q0 1/20 0.46
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45

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
SCHEMBL21118406 0.98 NOD1 (0.66) NOD1SLC6A5KMT2AGNPATFOLH1
SCHEMBL15975369 0.98 NOD1 (0.66) NOD1SLC6A5KMT2AGNPATFOLH1
SCHEMBL17776319 0.98 NOD1 (0.65) NOD1SLC6A5KMT2AGNPATFOLH1
SCHEMBL23677033 0.95 NOD1 (0.62) NOD1SLC6A5KMT2AGNPATFOLH1
SCHEMBL13902885 0.95 NOD1 (0.62) NOD1SLC6A5KMT2AGNPATFOLH1
SCHEMBL15975804 0.95 NOD1 (0.62) NOD1SLC6A5KMT2AGNPATFOLH1
SCHEMBL24178352 0.95 NOD1 (0.62) NOD1SLC6A5KMT2AGNPATFOLH1
SCHEMBL18116867 0.95 NOD1 (0.62) NOD1SLC6A5KMT2AGNPATFOLH1
SCHEMBL12673956 0.95 NOD1 (0.62) NOD1SLC6A5KMT2AGNPATFOLH1
SCHEMBL12287733 0.95 NOD1 (0.62) NOD1SLC6A5KMT2AGNPATFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 — — US disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 — — US 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-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 NOD1 800/4885SLC6A5 2974/4885KMT2A 4174/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 NOD1 800/4885SLC6A5 2974/4885KMT2A 4174/4885

“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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