SCHEMBL4230040

SCHEMBL4230040

Cc1ccc(S(=O)(=O)OCC2Cc3cc(Cl)cc(-c4ccc(F)c(F)c4)c3O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.37
PTGS1 P23219 6/20 0.37
MME P08473 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
AQP1 P29972 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4230817 0.93 PTGS2 (0.39) PTGS2PTGS1MMEAQP1
SCHEMBL4228727 0.88 SLC6A9 (0.35) PTGS2PTGS1PRKAB2PRKAG1PRKAA2
SCHEMBL4228996 0.87 MAOB (0.35) PTGS2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226463 0.87 GRM5 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4221883 0.87 PTGS1 (0.35) PTGS2PTGS1AQP1ALDH1A1CYP3A4
SCHEMBL4220444 0.86 AQP1 (0.36) MMEPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4222133 0.86 AQP1 (0.40) MMEAQP1ALDH1A1CYP3A4CYP2D6
SCHEMBL4226002 0.86 AQP1 (0.39) PTGS2MMEAQP1ALDH1A1CYP3A4
SCHEMBL4222333 0.85 PTGS2 (0.38) PTGS2PTGS1AQP1
SCHEMBL4231196 0.85 AQP1 (0.37) PTGS2PTGS1MMEPRKAB2PRKAG1

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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A PTGS2 2246/4885PTGS1 1930/4885MME 3189/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A PTGS2 2246/4885PTGS1 1930/4885MME 3189/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A PTGS2 2436/4885PTGS1 3132/4885MME 2207/4885

“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.