SCHEMBL23345218

SCHEMBL23345218

CC(C)(C)C1(C#N)CCN(S(C)(=O)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 7/20 0.33
CYP1A2 P05177 3/20 0.33
HIF1A Q16665 3/20 0.33
USP2 O75604 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 5/20 0.32
CYP2C19 P33261 4/20 0.32
MAPK1 P28482 3/20 0.32
NEK2 P51955 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL23344769 0.85 CYP2D6 (0.31) CYP2D6TSHR
SCHEMBL23345217 0.74 CYP2D6 (0.34) CYP2D6TSHRCYP3A4CYP1A2HIF1A
SCHEMBL24597202 0.73 ALDH1A1 (0.38) CYP2D6TSHRCYP3A4CYP1A2HIF1A
SCHEMBL23345005 0.69 CYP2D6 (0.39) CYP2D6TSHRCYP3A4CYP1A2HIF1A
SCHEMBL23345215 0.69 CYP2D6 (0.39) CYP2D6TSHRCYP3A4CYP1A2HIF1A
SCHEMBL23345223 0.69 CTSB (0.36) CYP2D6TSHRCYP3A4CYP1A2HIF1A
SCHEMBL26698112 0.68 ALDH1A1 (0.42) CYP2D6TSHRCYP3A4CYP1A2HIF1A
SCHEMBL18418138 0.68 CYP2D6 (0.41) CYP2D6TSHRCYP3A4CYP1A2HIF1A
SCHEMBL13232050 0.67 CYP3A4 (0.43) CYP2D6TSHRCYP3A4CYP1A2HIF1A
SCHEMBL23344994 0.67 OPRM1 (0.38) ALDH1A1MAPK1MEN1KMT2A

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 1282/4885TSHR 2669/4885CYP3A4 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.