SCHEMBL7169596

SCHEMBL7169596

Cc1noc(C)c1S(=O)(=O)Nc1cccc2c1CCCC2c1cn(C(=O)OC(C)(C)C)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
NR1H2 P55055 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA1A P35348 1/20 0.37
ACLY P53396 1/20 0.36

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
SCHEMBL7103274 0.85 ADRA1A (0.51) ADRA2AADRA1A
SCHEMBL7102018 0.84 ADRA2A (0.51) ADRA2AADRA1A
SCHEMBL7098536 0.84 ADRA2A (0.51) ADRA2AADRA1A
SCHEMBL7097246 0.81 ADRA2A (0.53) ADRA2AADRA1A
SCHEMBL7102876 0.77 ADRA2A (0.41) ADRA2A
SCHEMBL7102458 0.76 ADRA2A (0.48) ALDH1A1POLBMAPTLMNAADRA2A
SCHEMBL7097659 0.76 ADRA2A (0.39) POLBADRA2AADRA1A
SCHEMBL7098219 0.74 DDB1 (0.39) ADRA2A
SCHEMBL7253361 0.73 ADRA2A (0.70) ADRA2A
SCHEMBL7098201 0.71 DDB1 (0.43) POLBLMNASMN1; SMN2ADRA2A

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-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
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 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 ALDH1A1 263/4885POLB 4410/4885MAPT 4075/4885

“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.