SCHEMBL5239494

SCHEMBL5239494

Cc1c(Cc2c[nH]cn2)cccc1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 1/20 0.47
NR3C1 P04150 10/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
GLO1 Q04760 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TP53 P04637 1/20 0.37
PTGS1 P23219 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
SCHEMBL7248382 0.89 NR3C1 (0.41) NR3C1HTTALDH1A1
SCHEMBL7149258 0.86 ALDH1A1 (0.39) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL7101637 0.82 NR3C1 (0.39) KEAP1NFE2L2NR3C1PTGS1
Detomidine SCHEMBL20362216 0.77 ESR1 (0.33) KEAP1NFE2L2NR3C1PGRNR3C2
Detomidine SCHEMBL20362224 0.76 ESR1 (0.32) NR3C1PGRNR3C2ALOX15ALDH1A1
Detomidine SCHEMBL247340 0.76 ALDH1A1 (0.35) ALDH1A1TP53
Detomidine SCHEMBL7087060 0.76 ALDH1A1 (0.35) ALDH1A1TP53
SCHEMBL7100998 0.75 PSIP1 (0.38) HTTALDH1A1
SCHEMBL7103692 0.75 PSIP1 (0.38) NR3C1HTTALDH1A1
SCHEMBL7097451 0.75 PSIP1 (0.38) PTGS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
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
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP 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 KEAP1 3759/4885NFE2L2 2545/4885NR3C1 1807/4885

“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.