SCHEMBL7101937

SCHEMBL7101937

CC(C)(C)OC(=O)n1cnc(C2CCOc3c(NS(=O)(=O)CC(F)(F)F)cccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
TGFBR1 P36897 6/20 0.33
STS P08842 4/20 0.32
ACKR3 P25106 1/20 0.32
KIF18A Q8NI77 1/20 0.31
ALK Q9UM73 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
PIM1 P11309 1/20 0.30
ADRA1A P35348 1/20 0.30
IDH1 O75874 1/20 0.30
IDH2 P48735 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
SCHEMBL7102825 0.92 ADRA1A (0.37) ADRA2ATGFBR1STSADRA1A
SCHEMBL7097246 0.86 ADRA2A (0.53) ADRA2AADRA1A
SCHEMBL7098169 0.79 DDB1 (0.34)
SCHEMBL7098536 0.78 ADRA2A (0.51) ADRA2AADRA1A
SCHEMBL7102018 0.78 ADRA2A (0.51) ADRA2AADRA1A
SCHEMBL7103274 0.74 ADRA1A (0.51) ADRA2AADRA1A
SCHEMBL7169596 0.68 ALDH1A1 (0.42) ADRA2AADRA1A
SCHEMBL7098201 0.67 DDB1 (0.43) ADRA2A
SCHEMBL7097659 0.67 ADRA2A (0.39) ADRA2AADRA1A
SCHEMBL7102876 0.66 ADRA2A (0.41) ADRA2A

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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A ADRA2A 8/4885TGFBR1 1328/4885STS 96/4885

“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.