SCHEMBL7110796

SCHEMBL7110796

CC(=O)Nc1ccc(C(C)=O)cc1NS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NEU3 Q9UQ49 2/20 0.43
PRKCI P41743 1/20 0.42
NPC1 O15118 2/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 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
SCHEMBL7111842 0.84 ADRB3 (0.44) ALDH1A1SMN1; SMN2KDM4EHSD17B10HDAC1
SCHEMBL1474880 0.80 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL966589 0.80 ADRB3 (0.58) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL9537164 0.79 PRKCI (0.65) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL3249787 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL9624571 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL9624564 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL7116517 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL2489186 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL5674438 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10

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 4763/4885HPGD 863/4885

“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.