SCHEMBL2608563

SCHEMBL2608563

C=C(C)OC(=O)N[C@H]1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 12/20 0.54
PYGL P06737 6/20 0.54
PYGM P11217 1/20 0.54
SMYD3 Q9H7B4 1/20 0.38
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL2607001 0.91 CYP51A1 (0.58) CYP51A1PYGLPYGMSMYD3UTS2R
SCHEMBL2606934 0.90 CYP51A1 (0.55) CYP51A1PYGLPYGM
SCHEMBL2606955 0.90 CYP51A1 (0.55) CYP51A1PYGLPYGM
SCHEMBL2608587 0.88 CYP51A1 (0.51) CYP51A1PYGLPYGMUTS2R
SCHEMBL2108267 0.87 CYP51A1 (0.62) CYP51A1PYGLPYGMSMYD3
SCHEMBL2606988 0.85 CYP51A1 (0.60) CYP51A1PYGLPYGMSMYD3
SCHEMBL2108894 0.85 CYP51A1 (0.60) CYP51A1PYGLPYGMSMYD3
SCHEMBL2107959 0.85 CYP51A1 (0.64) CYP51A1PYGLPYGMSMYD3
SCHEMBL2107000 0.85 CYP51A1 (0.58) CYP51A1PYGLPYGMSMYD3
SCHEMBL2106997 0.85 CYP51A1 (0.58) CYP51A1PYGLPYGMSMYD3

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-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 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-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CYP51A1 598/4885PYGL 1/4885PYGM 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.