SCHEMBL23345005

SCHEMBL23345005

COC1(C(C)(C)C)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NEK2 P51955 2/20 0.38
TP53 P04637 1/20 0.37
CYP2C9 P11712 3/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
HIF1A Q16665 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.35
CYP2C19 P33261 4/20 0.35
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL23345217 0.89 CYP2D6 (0.34) CYP2D6SMN1; SMN2NEK2TP53CYP2C9
SCHEMBL23344771 0.80 TP53 (0.32) TP53
SCHEMBL13232050 0.75 CYP3A4 (0.43) CYP2D6SMN1; SMN2NEK2CYP2C9ALDH1A1
SCHEMBL24597145 0.74 HSD11B1 (0.44) CYP2D6SMN1; SMN2NEK2TP53CYP2C9
SCHEMBL18416949 0.74 CYP2D6 (0.42) CYP2D6SMN1; SMN2NEK2CYP2C9ALDH1A1
SCHEMBL23345009 0.73 GAA (0.32)
SCHEMBL27561659 0.72 NEK2 (0.43) CYP2D6SMN1; SMN2NEK2TP53CYP2C9
SCHEMBL23995668 0.72 CYP2D6 (0.41) CYP2D6SMN1; SMN2NEK2CYP2C9ALDH1A1
SCHEMBL11911969 0.71
SCHEMBL23344999 0.69 CYP1A2 (0.39) CYP2D6SMN1; SMN2CYP2C9ALDH1A1CYP3A4

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 432/4885NEK2 1284/4885

“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.