SCHEMBL7110668

SCHEMBL7110668

CC(=O)c1ccc(OCc2ccccc2)c(S(=O)(=O)Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.54
MAOB P27338 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
P2RX4 Q99571 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL11671068 0.88 MAOB (0.55) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL11879060 0.87 P2RX4 (0.55) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL7980453 0.85 MAOB (0.51) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL7108182 0.82 ALDH1A1 (0.52) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL3123036 0.82 MAOB (0.64) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL27688885 0.81 PTGER1 (0.47) MRGPRX4MAOBL3MBTL1MAPTCYP2C9
SCHEMBL8768763 0.81 MRGPRX4 (0.78) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL31535739 0.80 FFAR4 (0.43) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL5784623 0.79 MAOB (0.51) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL385027 0.79 FFAR4 (0.62) MRGPRX4MAOBSMN1; SMN2NPC1HPGD

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 9 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-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP 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
US-3943254-A ALPHA-AMINOMETHYL-4-HYDROXY-3-SULFAMYL BENZYL ALCOHOLS OR 4-HYDROXY-3-SULFAMYL-PHENETHYLAMINE SMITHKLINE CORPORATION (US) 1976-03-09 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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 MRGPRX4 144/4885MAOB 731/4885SMN1; SMN2 4763/4885

“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.