SCHEMBL23345002

SCHEMBL23345002

CCC1(N)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NEK2 P51955 1/20 0.40
CYP2C9 P11712 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 5/20 0.38
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HIF1A Q16665 2/20 0.38
USP2 O75604 2/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 5/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5568376 0.82 CYP2D6 (0.43) CYP2D6SMN1; SMN2NEK2CYP2C9MEN1
SCHEMBL22938669 0.78 CYP2D6 (0.47) CYP2D6SMN1; SMN2NEK2CYP2C9MEN1
SCHEMBL13819915 0.77 CYP2D6 (0.46) CYP2D6SMN1; SMN2NEK2CYP2C9MEN1
SCHEMBL3782563 0.76 CYP2D6 (0.44) CYP2D6SMN1; SMN2NEK2CYP2C9MEN1
SCHEMBL13262732 0.72 CYP2D6 (0.42) CYP2D6SMN1; SMN2NEK2CYP2C9MEN1
SCHEMBL19369386 0.71 CYP2D6 (0.41) CYP2D6SMN1; SMN2NEK2CYP2C9MEN1
SCHEMBL27561659 0.71 NEK2 (0.43) CYP2D6SMN1; SMN2NEK2CYP2C9MEN1
SCHEMBL23995668 0.71 CYP2D6 (0.41) CYP2D6SMN1; SMN2NEK2CYP2C9MEN1
SCHEMBL20069036 0.70 CHRM2 (0.34) KMT2A
SCHEMBL7603407 0.70 CYP2D6 (0.47) CYP2D6SMN1; SMN2NEK2CYP2C9MEN1

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.