SCHEMBL21087458

SCHEMBL21087458

CC(C)(C)CCCCn1cc(CCC(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)C(C)(C)C)nn1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.51
▸ FOLH1 Q04609 5/20 0.51
▸ DGAT1 O75907 7/20 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
SCHEMBL21087317 0.96 GLP1R (0.55) GLP1RFOLH1DGAT1
SCHEMBL21087028 0.90 GLP1R (0.56) GLP1RFOLH1DGAT1
SCHEMBL21087318 0.89 GLP1R (0.55) GLP1RFOLH1DGAT1
SCHEMBL21087314 0.85 GLP1R (0.61) GLP1RFOLH1DGAT1
SCHEMBL21087448 0.77 GLP1R (0.52) GLP1RFOLH1DGAT1
SCHEMBL23900363 0.77 FOLH1 (0.54) FOLH1DGAT1
SCHEMBL16983523 0.77 FOLH1 (0.51) GLP1RFOLH1DGAT1
SCHEMBL19216011 0.77 FOLH1 (0.51) GLP1RFOLH1DGAT1
SCHEMBL18475519 0.75 FOLH1 (0.50) GLP1RFOLH1DGAT1
SCHEMBL19216012 0.75 FOLH1 (0.50) GLP1RFOLH1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190175744-A1 INSULIN-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — 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 (1 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-20190175744-A1 INSULIN-INCRETIN CONJUGATES GIPR, GLP1R, GCGR GLP1R 2/4885FOLH1 320/4885DGAT1 315/4885

“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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