SCHEMBL23344766

SCHEMBL23344766

CC(C)(C)C1(C)CN(S(C)(=O)=O)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18416949 0.77 CYP2D6 (0.42) CYP2D6SMN1; SMN2CYP1A2HIF1AUSP2
SCHEMBL23344772 0.74
SCHEMBL23344764 0.74
SCHEMBL9882953 0.74 CYP2D6 (0.33) CYP2D6SMN1; SMN2CYP1A2HIF1AUSP2
SCHEMBL23344771 0.71 TP53 (0.32)
SCHEMBL19596790 0.70 CYP2D6 (0.32) CYP2D6SMN1; SMN2CYP1A2HIF1AUSP2
SCHEMBL24597148 0.70 TP53 (0.32) CYP2D6SMN1; SMN2CYP1A2HIF1AUSP2
SCHEMBL24597153 0.70 ALDH1A1 (0.32) CYP2D6SMN1; SMN2CYP1A2HIF1AUSP2
SCHEMBL23344769 0.70 CYP2D6 (0.31) CYP2D6
SCHEMBL15461408 0.67 CYP2D6 (0.35) CYP2D6SMN1; SMN2CYP1A2HIF1AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 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-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 CYP2D6 1282/4885SMN1; SMN2 432/4885CYP1A2 2086/4885

“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.