SCHEMBL2608587

SCHEMBL2608587

C=C(C)OC(=O)N1CCC(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 9/20 0.51
PYGL P06737 3/20 0.51
PYGM P11217 1/20 0.51
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
UTS2R Q9UKP6 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2607191 0.90 CYP51A1 (0.51) CYP51A1PYGLPYGMRAB9AALDH1A1
SCHEMBL2107845 0.89 CYP51A1 (0.53) CYP51A1PYGLPYGMRAB9AALDH1A1
SCHEMBL2608563 0.88 CYP51A1 (0.54) CYP51A1PYGLPYGMUTS2R
SCHEMBL2606797 0.87 PYGL (0.53) CYP51A1PYGLPYGM
SCHEMBL2109016 0.87 PYGL (0.53) CYP51A1PYGLPYGM
SCHEMBL2108267 0.85 CYP51A1 (0.62) CYP51A1PYGLPYGMRAB9A
SCHEMBL2606950 0.85 PYGL (0.52) CYP51A1PYGLPYGMALDH1A1
SCHEMBL2606947 0.85 PYGL (0.52) CYP51A1PYGLPYGMALDH1A1
SCHEMBL2606894 0.84 PYGL (0.51) CYP51A1PYGLPYGMALDH1A1
SCHEMBL2606896 0.84 PYGL (0.51) CYP51A1PYGLPYGM

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.