SCHEMBL4228727

SCHEMBL4228727

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.35
PTGS2 P35354 11/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PTGS1 P23219 5/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL4235231 0.92 PTGS2 (0.36) PTGS2PTGS1FFAR1FFAR4RORC
SCHEMBL4224088 0.90 ALDH1A1 (0.33) PTGS2PTGS1ALDH1A1CYP3A4CYP2D6
SCHEMBL4226072 0.88 RORC (0.34) PTGS2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226047 0.88 IDH2 (0.35) PTGS2PTGS1ALDH1A1CYP3A4CYP2D6
SCHEMBL4230040 0.88 PTGS2 (0.37) PTGS2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4235581 0.88 GPR52 (0.34) PTGS2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4225471 0.87 AQP1 (0.34) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4234469 0.86 GPBAR1 (0.34) PTGS2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4226552 0.85 ALDH1A1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4222341 0.84 KIF11 (0.35) PTGS2ALDH1A1CYP3A4CYP2D6TSHR

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 SLC6A9 1487/4885PTGS2 2246/4885PRKAB2 2598/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A SLC6A9 1487/4885PTGS2 2246/4885PRKAB2 2598/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A SLC6A9 1865/4885PTGS2 2436/4885PRKAB2 2184/4885

“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.