SCHEMBL7109768

SCHEMBL7109768

CN(C)S(=O)(=O)Nc1cccc(C(=O)CBr)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.69
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.47
GSK3B P49841 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 5/20 0.46
POLB P06746 1/20 0.44
PTPN1 P18031 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.41
F2 P00734 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL1120803 0.84 ALDH1A1 (0.67) HTTALDH1A1GSK3BSMN1; SMN2HPGD
SCHEMBL11675382 0.82 HPGD (0.62) HTTMEN1KMT2AGSK3BHPGD
SCHEMBL335974 0.82 HTT (1.00) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10808044 0.82 HTT (0.77) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL26750526 0.80 ALDH1A1 (0.47) HTTALDH1A1GSK3BSMN1; SMN2POLB
SCHEMBL11067980 0.79 HTT (0.73) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7164533 0.78 HPGD (0.53) KMT2AALDH1A1GSK3BHPGDPTPN1
SCHEMBL10810948 0.77 GSK3B (0.52) MEN1KMT2AALDH1A1GSK3BPTPN1
Bromide SCHEMBL10751253 0.75 GSK3B (0.50) MEN1KMT2AALDH1A1GSK3BPTPN1
SCHEMBL7110199 0.75 GSK3B (0.41) HTTMEN1KMT2AALDH1A1GSK3B

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 HTT 1928/4885MEN1 2939/4885KMT2A 1725/4885

“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.