SCHEMBL10146302

SCHEMBL10146302

CCC(C)(C)c1cc(-c2nnc(C(C)(C)S(=O)(=O)c3ccc(F)cc3)o2)on1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
BACE1 P56817 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL351632 0.91 CNR2 (0.36) PTGS2MAOAMAOBBACE1ALDH1A1
SCHEMBL352888 0.89 MAOA (0.36) PTGS2MAOAMAOBBACE1ALDH1A1
SCHEMBL352120 0.86 MAOA (0.30) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL10146335 0.80 PTGS2 (0.36) PTGS2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL350815 0.78 CNR2 (0.42) MAOAMAOBALDH1A1MAPTCNR1
SCHEMBL351653 0.77 HDAC1 (0.33) PTGS2MAOAMAOBBACE1ALDH1A1
SCHEMBL352100 0.75 BRD4 (0.48) PTGS2MAOAMAOBGAAMAPT
SCHEMBL352429 0.72 CNR2 (0.34) PTGS2ALDH1A1HPGDHSD17B10CNR1
SCHEMBL10147490 0.71
SCHEMBL350900 0.71 PTGS2 (0.36) PTGS2ALDH1A1HPGDHSD17B10GAA

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 PTGS2 263/4885MAOA 3696/4885MAOB 2588/4885

“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.