SCHEMBL7109039

SCHEMBL7109039

CS(=O)(=O)Nc1cc(C(=O)CBr)ccc1I

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GSK3B P49841 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.38
NEU3 Q9UQ49 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.36
RECQL P46063 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
SCHEMBL7107204 0.84 ADRB3 (0.47) ADRB3SMN1; SMN2KDM4EHSD17B10GSK3B
SCHEMBL2546108 0.84 ADRB3 (0.64) ADRB3SMN1; SMN2KDM4EHSD17B10GSK3B
SCHEMBL1120778 0.82 ADRB3 (0.46) ADRB3SMN1; SMN2KDM4EHSD17B10GSK3B
SCHEMBL7036188 0.82 ADRB3 (0.46) ADRB3SMN1; SMN2KDM4EHSD17B10GSK3B
SCHEMBL7116517 0.81 SMN1; SMN2 (0.53) ADRB3SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL7039348 0.80 ALDH1A1 (0.50) ADRB3SMN1; SMN2KDM4EHSD17B10GSK3B
SCHEMBL7111842 0.80 ADRB3 (0.44) ADRB3SMN1; SMN2KDM4EHSD17B10GSK3B
SCHEMBL5440367 0.79 KDM4E (0.70) SMN1; SMN2KDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL7107161 0.76 SMN1; SMN2 (0.42) ADRB3SMN1; SMN2KDM4EHSD17B10GSK3B
SCHEMBL10895603 0.75 SMN1; SMN2 (0.41) ADRB3SMN1; SMN2KDM4EHSD17B10GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 ADRB3 1/4885SMN1; SMN2 4763/4885KDM4E 2447/4885

“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.