SCHEMBL2962210

SCHEMBL2962210

CC(=O)OCc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.56
SLC6A4 P31645 5/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
PPARA Q07869 1/20 0.53
SLC1A5 Q15758 1/20 0.48
MAPT P10636 1/20 0.47
FFAR1 O14842 1/20 0.45
HTT P42858 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KCNH2 Q12809 3/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
CHRM1 P11229 1/20 0.42
PTGDR2 Q9Y5Y4 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
SCHEMBL5316252 0.88 ALDH1A1 (0.53) SLC6A4SLC6A2PPARAFFAR1MEN1
SCHEMBL12929642 0.79 SLC6A4 (0.68) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL1146416 0.77 HTR2A (0.54) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL966658 0.77 PPARA (0.57) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL872958 0.77 CXCL8 (0.67) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL11617871 0.77 SMN1; SMN2 (0.50) SLC6A4SLC6A2SLC6A3HTTL3MBTL1
SCHEMBL2248000 0.77 HTR2A (0.60) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL6024784 0.76 KMT2A (0.52) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL1030014 0.76 IDO1 (0.56) MAPTHTTL3MBTL1NPSR1MEN1
SCHEMBL2797501 0.76 ALDH1A1 (0.53) PPARAALDH1A1HPGD

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
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A HTR2A 2/4885SLC6A4 44/4885SLC6A2 86/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A HTR2A 2/4885SLC6A4 44/4885SLC6A2 86/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A HTR2A 2/4885SLC6A4 44/4885SLC6A2 86/4885

“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.