SCHEMBL25349705

SCHEMBL25349705

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.44
CYP2C19 P33261 2/20 0.44
ALOX15 P16050 2/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 2/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
NEK2 P51955 1/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL25346585 0.77 RORC (0.39) CYP2D6CYP2C19ALOX15DPP4DPP8
SCHEMBL24104256 0.76 CYP2D6 (0.42) CYP2D6CYP2C19ALOX15DPP4DPP8
SCHEMBL17749033 0.76 OPRM1 (0.36) CYP1A2EPHX2MAPT
SCHEMBL3998460 0.75 FFAR3 (0.52) CYP2D6CYP2C19ALOX15TP53CYP2C9
SCHEMBL14417791 0.72 CYP2D6 (0.47) CYP2D6ALOX15CYP2C9ALDH1A1MEN1
SCHEMBL17970231 0.71 ALDH1A1 (0.44) CYP2D6CYP2C19ALOX15LMNATP53
SCHEMBL3027233 0.71 CYP2D6 (0.44) CYP2D6CYP2C19ALOX15TP53CYP2C9
SCHEMBL22310672 0.71 FFAR3 (0.38) CYP2C19DPP4SMN1; SMN2ALDH1A1MEN1
SCHEMBL1694491 0.71
SCHEMBL7603407 0.71 CYP2D6 (0.47) CYP2D6CYP2C19ALOX15LMNACYP2C9

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-20230257394-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2023-08-17 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-20230257394-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 CYP2D6 618/4885CYP2C19 567/4885ALOX15 3743/4885

“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.