SCHEMBL10146084

SCHEMBL10146084

Cc1ccc(S(=O)(=O)C(C)(C)C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
ALDH1A1 P00352 7/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TLR9 Q9NR96 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL14227525 0.82 ENPP2 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL855712 0.81 ALDH1A1 (0.64) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL384938 0.81 GAA (0.56) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8745517 0.81 GAA (0.56) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10146076 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4CA1CA2CA12
SCHEMBL10146079 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CA1CA2
SCHEMBL27724888 0.79 TLR9 (0.45) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1098295 0.79 GAA (0.54) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL30565133 0.78 GAA (0.59) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5351691 0.77 GAA (0.52) GAAALDH1A1CYP3A4CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 GAA 4478/4885ALDH1A1 2844/4885CYP3A4 1414/4885

“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.