SCHEMBL4800503

SCHEMBL4800503

[CH2]Oc1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD11B1 P28845 1/20 0.37
EPHX2 P34913 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SCN9A Q15858 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
VNN1 O95497 1/20 0.33

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
SCHEMBL4654446 0.87 RXRA (0.47) RXRARXRBRXRGGAAALDH1A1
SCHEMBL10947092 0.79 CA1 (0.44) GAAALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL96142 0.76 GAA (0.38) RXRARXRBRXRGGAAALDH1A1
SCHEMBL29435933 0.76 CA1 (0.62) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL625622 0.76 CA1 (0.62) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL2089098 0.76 RXRA (0.49) RXRARXRBRXRGGAAALDH1A1
SCHEMBL7701143 0.75 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD11B1SCN9APOLB
SCHEMBL264407 0.74 RXRA (0.40) RXRARXRBRXRGGAAALDH1A1
SCHEMBL364380 0.73 GAA (0.42) RXRARXRBRXRGGAAALDH1A1
SCHEMBL255271 0.73 EPHX2 (0.43) RXRARXRBRXRGGAAALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH RXRA 1993/4885RXRB 1678/4885RXRG 2542/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 RXRA 3993/4885RXRB 3924/4885RXRG 4200/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH RXRA 2326/4885RXRB 2007/4885RXRG 2824/4885

“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.