SCHEMBL29317042

SCHEMBL29317042

CC(C)(C)OC(=O)N1CCC(C)(OS(C)(=O)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 3/20 0.39
GPR119 Q8TDV5 10/20 0.38
CYP11B2 P19099 1/20 0.37
USP30 Q70CQ3 1/20 0.37
SCD5 Q86SK9 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
SCHEMBL26912007 0.88 USP2 (0.41) USP2SMN1; SMN2GPR119
SCHEMBL20228010 0.81 USP2 (0.45) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL29130003 0.78 GPR119 (0.45) USP2SMN1; SMN2RORCGPR119
SCHEMBL2218857 0.78 USP2 (0.41) USP2SMN1; SMN2RORCCYP11B2USP30
SCHEMBL31543328 0.78 USP2 (0.41) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL4210880 0.77 USP2 (0.50) USP2SMN1; SMN2RORCCYP11B2USP30
SCHEMBL28896482 0.75 CYP4F2 (0.40) USP2SMN1; SMN2RORCGPR119CYP11B2
SCHEMBL28896586 0.75 USP2 (0.40) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL15770893 0.75 USP2 (0.49) USP2SMN1; SMN2GPR119
SCHEMBL21358469 0.75 CYP2C19 (0.46) USP2SMN1; SMN2GPR119CYP11B2SCD5

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-20240239794-A1 PKC-Theta Modulators EXSCIENTIA AI LIMITED (GB) 2024-07-18 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-20240239794-A1 PKC-Theta Modulators PRKCQ, PRKCH, PRKCZ USP2 4177/4885SMN1; SMN2 1674/4885RORC 841/4885

“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.