SCHEMBL4235231

SCHEMBL4235231

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.36
PTGS1 P23219 6/20 0.34
RORC P51449 1/20 0.34
AQP1 P29972 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL4228727 0.92 SLC6A9 (0.35) PTGS2PTGS1RORCFFAR1FFAR4
SCHEMBL4230817 0.90 PTGS2 (0.39) PTGS2PTGS1AQP1
SCHEMBL4222333 0.88 PTGS2 (0.38) PTGS2PTGS1AQP1
SCHEMBL4224088 0.87 ALDH1A1 (0.33) PTGS2PTGS1FFAR1FFAR4
SCHEMBL4229732 0.87 PTGS2 (0.43) PTGS2PTGS1AQP1
SCHEMBL4226072 0.86 RORC (0.34) PTGS2PTGS1RORCAQP1FFAR1
SCHEMBL4226047 0.86 IDH2 (0.35) PTGS2PTGS1FFAR1FFAR4
SCHEMBL4235581 0.86 GPR52 (0.34) PTGS2RORCFFAR1FFAR4
SCHEMBL4225471 0.85 AQP1 (0.34) RORCAQP1
SCHEMBL4234469 0.84 GPBAR1 (0.34) PTGS2

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 6 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-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 1930/4885RORC 2527/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A PTGS2 2246/4885PTGS1 1930/4885RORC 2527/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A PTGS2 2436/4885PTGS1 3132/4885RORC 2709/4885

“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.