SCHEMBL25442802

SCHEMBL25442802

CC(C)Cc1cccc(S(C)(=O)=O)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
SLC6A2 P23975 1/20 0.36
P2RX7 Q99572 1/20 0.34
ELANE P08246 2/20 0.33
ATM Q13315 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
CTSG P08311 1/20 0.33
LOX P28300 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.31
NQO2 P16083 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL23665005 0.86 GABRA1 (0.38) GABRA1GABRB2SLC6A2P2RX7LOX
SCHEMBL10180071 0.82 SLC6A2 (0.49) GABRA1GABRB2SLC6A2ELANEATM
SCHEMBL15035936 0.73 HSD11B1 (0.41) P2RX7ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL24603708 0.73 CNR2 (0.37)
SCHEMBL27876505 0.72 GABRA1 (0.47) GABRA1GABRB2SLC6A2ELANEATM
SCHEMBL14485067 0.71 GABRA1 (0.50) GABRA1GABRB2SLC6A2ALDH1A1MEN1
SCHEMBL13248014 0.71 GABRA1 (0.55) GABRA1GABRB2SLC6A2ELANECTSG
SCHEMBL14485064 0.71 GABRA1 (0.50) GABRA1GABRB2SLC6A2CYP3A4CYP2D6
SCHEMBL15352818 0.70 GABRA1 (0.46) GABRA1GABRB2ELANEATMCDK1
SCHEMBL22427762 0.70 CA1 (0.50) ALDH1A1

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-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 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-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 GABRA1 2896/4885GABRB2 2822/4885SLC6A2 4541/4885

“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.