SCHEMBL7094657

SCHEMBL7094657

CN(CC1CCc2ccccc2C1=O)C(=O)CC1CS(=O)(=O)CC1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 2/20 0.38
ACHE P22303 2/20 0.36
HTR1A P08908 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR2C P28335 1/20 0.35

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
SCHEMBL7094656 0.81 METAP1 (0.39) METAP1ALDH1A1SMN1; SMN2TP53CYP1A2
SCHEMBL6630621 0.79 METAP1 (0.51) METAP1ALDH1A1SMN1; SMN2TP53CYP1A2
SCHEMBL7340887 0.78 METAP1 (0.48) METAP1ALDH1A1SMN1; SMN2TP53CYP1A2
SCHEMBL7002193 0.78 METAP1 (0.48) METAP1ALDH1A1SMN1; SMN2TP53CYP1A2
SCHEMBL7345539 0.76 METAP1 (0.46) METAP1ALDH1A1SMN1; SMN2TP53CYP1A2
SCHEMBL6630617 0.75 METAP1 (0.50) METAP1ALDH1A1SMN1; SMN2TP53CYP1A2
SCHEMBL7344655 0.75 METAP1 (0.45) METAP1ALDH1A1SMN1; SMN2TP53CYP1A2
SCHEMBL7337009 0.73 CYP19A1 (0.43) METAP1ALDH1A1SMN1; SMN2TP53CYP1A2
SCHEMBL7337797 0.73 CYP19A1 (0.44) METAP1ALDH1A1SMN1; SMN2TP53CYP1A2
SCHEMBL2125675 0.72 METAP1 (0.71) METAP1CYP19A1ACHEHTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 WO 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL METAP1 3110/4885ALDH1A1 3884/4885SMN1; SMN2 2364/4885

“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.