SCHEMBL7108854

SCHEMBL7108854

CS(=O)(=O)Nc1cccc(C(O)CBr)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.49
ADRA1A P35348 3/20 0.48
ADRA2C P18825 2/20 0.48
ADRA1B P35368 1/20 0.48
KEAP1 Q14145 1/20 0.47
ADRB3 P13945 7/20 0.47
LMNA P02545 2/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.46
BLM P54132 1/20 0.46
NR3C1 P04150 1/20 0.44
CACNA1F O60840 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2B P18089 1/20 0.44

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
SCHEMBL13139256 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBADRA1AADRA2C
SCHEMBL11420225 0.86 ADRB3 (0.61) ALDH1A1SMN1; SMN2POLBADRA1AADRA2C
Amidephrine Mesylate SCHEMBL122479 0.84 ADRB3 (0.58) ALDH1A1SMN1; SMN2POLBADRA1AADRA2C
Hydrochloric Acid SCHEMBL9216885 0.84 ADRB3 (0.59) ALDH1A1SMN1; SMN2POLBADRA1AADRA2C
Hydrochloric Acid SCHEMBL9216889 0.84 ADRB3 (0.59) ALDH1A1SMN1; SMN2POLBADRA1AADRA2C
SCHEMBL6074523 0.83 LMNA (0.65) ALDH1A1SMN1; SMN2ADRA1AADRA2CADRA1B
SCHEMBL9447441 0.83 LMNA (0.65) ALDH1A1SMN1; SMN2ADRA1AADRA2CADRA1B
SCHEMBL6075074 0.83 LMNA (0.65) ALDH1A1SMN1; SMN2ADRA1AADRA2CADRA1B
Amidephrine Mesylate SCHEMBL122478 0.83 ADRB3 (0.56) ALDH1A1SMN1; SMN2POLBADRA1AADRA2C
SCHEMBL245468 0.81 MEN1 (0.60) ALDH1A1SMN1; SMN2POLBKEAP1ADRB3

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 ALDH1A1 1815/4885SMN1; SMN2 4763/4885POLB 3126/4885

“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.