SCHEMBL10146291

SCHEMBL10146291

CC(C)(C(N)=NO)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
HSD11B1 P28845 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL10146287 0.83 ALDH1A1 (0.47) F2PRSS1PRSS2PRSS3CNR1
SCHEMBL10146284 0.83 ALDH1A1 (0.47) F2PRSS1PRSS2PRSS3CNR1
SCHEMBL12289440 0.81 F2 (0.46) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL10177110 0.79 F2 (0.44) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL766883 0.75 PHGDH (0.48) HSD11B1CNR1CNR2ALDH1A1CA1
SCHEMBL16232173 0.74 CNR2 (0.45) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL351405 0.73 CNR2 (0.54) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL7945002 0.72 ALDH1A1 (0.61) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL350440 0.70 MMP1 (0.46) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL24513848 0.69 ALDH1A1 (0.44) HSD11B1CNR1CNR2ALDH1A1CA1

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-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 F2 2038/4885PRSS1 1495/4885PRSS2 2155/4885

“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.