SCHEMBL10146059

SCHEMBL10146059

CC(C)(C)C(C)(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CNR2 P34972 2/20 0.47
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
PTGS2 P35354 3/20 0.44
CNR1 P21554 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
CA9 Q16790 2/20 0.40
PTGS1 P23219 1/20 0.40
CA12 O43570 1/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
MMP1 P03956 2/20 0.39

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
SCHEMBL10147798 0.83 ALDH1A1 (0.69) KIF11ALDH1A1CNR2CA1CA2
SCHEMBL10146079 0.79 ALDH1A1 (0.47) ALDH1A1CA1CA2PTGS2HSD11B1
SCHEMBL14227517 0.78 CA1 (0.54) ALDH1A1CA1CA2MMP1
SCHEMBL14241912 0.77 KIF11 (0.46) KIF11ALDH1A1CNR2CA1CA2
SCHEMBL10146084 0.77 GAA (0.52) ALDH1A1CA1CA2CA9CA12
SCHEMBL14227525 0.77 ENPP2 (0.48) KIF11ALDH1A1PTGS2
SCHEMBL14194251 0.77 KIF11 (0.53) KIF11ALDH1A1CNR2CA1CA2
SCHEMBL353271 0.76 CNR2 (0.57) KIF11ALDH1A1CNR2CA1CA2
SCHEMBL7541342 0.76 ALDH1A1 (0.50) KIF11ALDH1A1CNR2CA1CA2
SCHEMBL10146076 0.75 ALDH1A1 (0.50) ALDH1A1CNR2CA1CA2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
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 (2 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-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, OPRL1 KIF11 4398/4885ALDH1A1 2203/4885CNR2 1/4885
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 KIF11 4563/4885ALDH1A1 2844/4885CNR2 1/4885

“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.