SCHEMBL4201103

SCHEMBL4201103

O=S(=O)(c1ccccc1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 1/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
KCNH2 Q12809 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
SFRP1 Q8N474 2/20 0.46
WNT3 P56703 1/20 0.46
AR P10275 1/20 0.45
HSD11B1 P28845 1/20 0.45
PGAM1 P18669 1/20 0.44
HSPD1 P10809 2/20 0.44
PTPN2 P17706 2/20 0.44
PTPN1 P18031 2/20 0.44
PTPN5 P54829 2/20 0.44
HSPE1 P61604 2/20 0.44

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
SCHEMBL4669253 0.91 LMNA (0.45) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL15867028 0.91 VCAM1 (0.48) MAPTNAMPTSLC22A12ARPGAM1
SCHEMBL19604031 0.85 KIF11 (0.50) MAPTNAMPTSLC22A12PGAM1HSPD1
SCHEMBL27841266 0.81 ALDH1A1 (0.63) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL586329 0.80 HTR6 (0.58) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4616057 0.78 SFRP1 (0.48) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4618091 0.78 FFAR4 (0.49) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4205464 0.78 HSD17B10 (0.46) HTR6POLBMAPTNAMPTSLC22A12
SCHEMBL27080946 0.78 SLC22A12 (0.44) NAMPTSLC22A12ARERAP1CCR2
SCHEMBL19599195 0.77 KIF11 (0.47) MAPTSMN1; SMN2NAMPTERAP1

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
CN-101326161-B Novel compounds ASTRAZENECA AB 2013-04-17 CN disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
CN-101374804-A Substituted diphenylethers, -amines, -sulfides and -methanes for the treatment of respiratory disease ASTRAZENECA AB (SE) 2009-02-25 CN disclosed
CN-101326161-A Novel compounds ASTRAZENECA AB (SE) 2008-12-17 CN disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 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 (2 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS HTR6 242/4885ALDH1A1 1390/4885POLB 2371/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC HTR6 253/4885ALDH1A1 128/4885POLB 3105/4885

“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.