SCHEMBL25468636

SCHEMBL25468636

CC(C)(C)c1cc(C(C)(C)C)c(Cl)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 3/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38
HSP90AA1 P07900 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 3/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
TYR P14679 3/20 0.33
GABBR2 O75899 1/20 0.33

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
SCHEMBL1042021 0.89 GABBR2 (0.36) GABRA1GABRB2POLBALDH1A1SMN1; SMN2
SCHEMBL17594503 0.87 POLB (0.44) GABRA1GABRB2POLBALDH1A1SMN1; SMN2
SCHEMBL7058213 0.84 ALDH1A1 (0.46) GABRA1GABRB2POLBALDH1A1SMN1; SMN2
SCHEMBL1042661 0.84 GABRA1 (0.34) GABRA1GABRB2POLBALDH1A1SMN1; SMN2
SCHEMBL4074776 0.82 GABRA1 (0.33) GABRA1GABRB2POLBALDH1A1SMN1; SMN2
SCHEMBL28928342 0.79 CYP2C19 (0.35) GABRA1GABRB2ALDH1A1CYP1A2CYP2C19
SCHEMBL31519169 0.78 ALDH1A1 (0.56) POLBALDH1A1SMN1; SMN2ALOX15CYP1A2
SCHEMBL22861251 0.78
SCHEMBL28175612 0.77 NR5A2 (0.40) GABRA1GABRB2POLBALDH1A1SMN1; SMN2
SCHEMBL28803391 0.76 ALOX15 (0.50) GABRA1GABRB2POLBALDH1A1SMN1; SMN2

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-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 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-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B GABRA1 2892/4885GABRB2 3388/4885POLB 4039/4885

“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.