SCHEMBL7102066

SCHEMBL7102066

COc1ccc(NS(C)(=O)=O)c2c1C(c1cn(C(=O)OC(C)(C)C)cn1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
EGFR P00533 2/20 0.35
ADRA1A P35348 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
PIK3CA P42336 2/20 0.34
ADRA2A P08913 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL7105189 0.84 PDE4B (0.34) STSADRA1AGPR119EHMT2
SCHEMBL7103274 0.83 ADRA1A (0.51) ADRA1AADRA2A
SCHEMBL7098178 0.77 DDB1 (0.35) STSADRA1AGPR119EHMT2
SCHEMBL7102018 0.75 ADRA2A (0.51) ADRA1AADRA2A
SCHEMBL7098536 0.75 ADRA2A (0.51) ADRA1AADRA2A
SCHEMBL7097246 0.73 ADRA2A (0.53) ADRA1AADRA2A
SCHEMBL7169596 0.70 ALDH1A1 (0.42) ADRA1AADRA2A
SCHEMBL7102876 0.70 ADRA2A (0.41) ADRA2AGPR119
SCHEMBL7102229 0.69 ADRA2A (0.40) STSADRA1AADRA2AGPR119EHMT2
SCHEMBL7098219 0.68 DDB1 (0.39) ADRA2AGPR119

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 STS 96/4885EGFR 3935/4885ADRA1A 3/4885

“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.