SCHEMBL2963945

SCHEMBL2963945

Cc1cccc(O)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CRHR1 P34998 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
HSD11B1 P28845 2/20 0.42
ESR2 Q92731 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
PTPN11 Q06124 1/20 0.40
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL29115688 0.87 TSHR (0.52) TSHRHSD17B10LMNAHTTHSD11B1
SCHEMBL13201408 0.80 ALDH1A1 (0.46) TSHRHSD17B10LMNAHTTHSD11B1
SCHEMBL4623477 0.79 TSHR (0.44) TSHRHSD17B10LMNAHTTHSD11B1
SCHEMBL5705070 0.76 CA1 (0.54) TSHRLMNAHSP90AA1ALDH1A1TDP1
SCHEMBL21651103 0.75 ESR2 (0.40) TSHRHSD17B10LMNAHTTNPSR1
SCHEMBL20982341 0.75 CXCR2 (0.40) TSHRHSD17B10LMNAHTTNPSR1
SCHEMBL5095767 0.74 LMNA (0.49) TSHRLMNAHTTNPSR1ESR2
SCHEMBL20983402 0.74 HSP90AA1 (0.51) TSHRESR2HSP90AA1TRPA1ALDH1A1
SCHEMBL4621900 0.73 ESR2 (0.39) LMNAHTTNPSR1HSD11B1ESR2
SCHEMBL4453603 0.73 AHR (0.50) TSHRHSD17B10CRHR1LMNAHTT

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 8 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

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 TSHR 43/4885HSD17B10 1734/4885CRHR1 545/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A TSHR 43/4885HSD17B10 1734/4885CRHR1 545/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A TSHR 43/4885HSD17B10 1734/4885CRHR1 545/4885

“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.