SCHEMBL7109416

SCHEMBL7109416

CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CNR2 P34972 3/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EGFR P00533 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTT P42858 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
SRC P12931 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
SCHEMBL7110506 0.90 EGFR (0.50) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7108182 0.88 ALDH1A1 (0.52) ALDH1A1CNR2NPC1HPGDRAB9A
SCHEMBL11669999 0.84 NPC1 (0.52) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL7109049 0.82 EGFR (0.45) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL11470292 0.82 P2RX4 (0.51) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL1120927 0.81 NPC1 (0.49) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL964676 0.78 NPC1 (0.46) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL31194744 0.78 NPC1 (0.78) NPC1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL1119481 0.78 NPC1 (0.78) NPC1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL8356708 0.77 NPC1 (0.64) NPC1HPGDRAB9ASMN1; SMN2EGFR

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 1815/4885CNR2 163/4885NPC1 586/4885

“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.