SCHEMBL4804137

SCHEMBL4804137

N#CCN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 20/20 0.78
▸ ABCB11 O95342 1/20 0.73
▸ PYGM P11217 9/20 0.71

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
SCHEMBL4801804 1.00 PYGL (0.78) PYGLABCB11PYGM
SCHEMBL5642230 1.00 PYGL (0.78) PYGLABCB11PYGM
SCHEMBL5642732 0.88 PYGL (1.00) PYGLABCB11PYGM
SCHEMBL5645311 0.88 PYGL (0.86) PYGLABCB11PYGM
SCHEMBL4797340 0.88 PYGL (1.00) PYGLABCB11PYGM
SCHEMBL4797803 0.88 PYGL (1.00) PYGLABCB11PYGM
SCHEMBL5642056 0.88 PYGL (1.00) PYGLABCB11PYGM
SCHEMBL4805314 0.88 PYGL (1.00) PYGLABCB11PYGM
SCHEMBL13878951 0.87 PYGL (0.69) PYGLABCB11PYGM
SCHEMBL4799068 0.87 PYGL (0.85) PYGLABCB11PYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057046-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-06 — — US claimed
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 — — US claimed
US-7425550-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-09-16 — — US disclosed
US-7098235-B2 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB CO. (US) 2006-08-29 — — US disclosed
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 — — US disclosed
US-7057046-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-06 — — US disclosed
US-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 — — US disclosed
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 — — 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 (3 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-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds PYGL, PNLIP, PYGM PYGL 1/4885ABCB11 1548/4885PYGM 3/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 PYGL 1/4885ABCB11 2349/4885PYGM 2/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 PYGL 1/4885ABCB11 2494/4885PYGM 2/4885

“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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