SCHEMBL15024692

SCHEMBL15024692

CC[C@H](C)[C@H](NC(=O)C(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)[C@@H](NC(=O)C(CCCCN)NNC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)C(=O)C(=O)[C@H](Cc1ccccc1)NCNC(CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)N[C@@H](CO)C(=O)NC(C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)[C@H](CO)NN[C@H](C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 18/20 0.67
▸ NR3C1 P04150 2/20 0.60
▸ CCKBR P32239 1/20 0.60
▸ ECE1 P42892 1/20 0.59
▸ MUS81 Q96NY9 1/20 0.59

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
SCHEMBL12873154 0.99 GLP1R (0.67) GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL2752275 0.95 GLP1R (0.70) GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL10083215 0.93 GLP1R (0.70) GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL6123960 0.93 GLP1R (0.69) GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL15086005 0.90 GLP1R (0.67) GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL14769532 0.88 GLP1R (0.67) GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL2742706 0.88 NR3C1 (0.70) GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL2759455 0.88 NR3C1 (0.70) GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL12393243 0.88 GLP1R (0.70) GLP1RNR3C1
SCHEMBL5959058 0.87 GLP1R (0.68) GLP1RNR3C1CCKBRECE1MUS81

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-8901114-B2 Oxathiazine derivatives substituted with carbocycles or heterocycles, method for producing same, drugs containing said compounds, and use thereof SANOFI (FR) 2014-12-02 — — US disclosed
US-20130150340-A1 6-(4-Hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-06-13 — — 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-20130150340-A1 6-(4-Hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP4K2, MAP3K19 GLP1R 230/4885NR3C1 2537/4885CCKBR 1613/4885

“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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