SCHEMBL23345217

SCHEMBL23345217

COC1(C(C)(C)C)CCN(S(C)(=O)=O)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 4/20 0.34
USP2 O75604 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP1A2 P05177 3/20 0.34
HIF1A Q16665 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 5/20 0.33
CYP2C19 P33261 4/20 0.33
NEK2 P51955 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL23345005 0.89 CYP2D6 (0.39) CYP2D6ALDH1A1CYP3A4USP2HSD17B10
SCHEMBL23344771 0.85 TP53 (0.32) TP53
SCHEMBL23345218 0.74 CYP2D6 (0.36) CYP2D6ALDH1A1CYP3A4USP2HSD17B10
SCHEMBL24597200 0.72 HSD11B1 (0.39) CYP2D6ALDH1A1CYP3A4USP2HSD17B10
SCHEMBL25094119 0.71 DRD4 (0.31)
SCHEMBL23345215 0.70 CYP2D6 (0.39) CYP2D6ALDH1A1CYP3A4USP2HSD17B10
SCHEMBL13232050 0.69 CYP3A4 (0.43) CYP2D6ALDH1A1CYP3A4USP2HSD17B10
SCHEMBL23995672 0.68 CYP2D6 (0.40) CYP2D6ALDH1A1CYP3A4USP2HSD17B10
SCHEMBL23345230 0.68 CYP4F2 (0.40) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL24597145 0.67 HSD11B1 (0.44) CYP2D6ALDH1A1CYP3A4USP2HSD17B10

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 1282/4885ALDH1A1 3594/4885CYP3A4 2915/4885

“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.