SCHEMBL4234469

SCHEMBL4234469

Cc1ccc(S(=O)(=O)OCC2Cc3cc(C(F)(F)F)cc(-c4ccccc4F)c3O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
VDR P11473 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL4226552 0.93 ALDH1A1 (0.34) GPBAR1ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL4225471 0.90 AQP1 (0.34) GPBAR1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4234252 0.89 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL4235581 0.89 GPR52 (0.34) ALDH1A1KMT2AMEN1PTGS2CYP3A4
SCHEMBL4233543 0.89 AQP1 (0.39) ALDH1A1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL4220444 0.87 AQP1 (0.36) ALDH1A1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4226401 0.87 ALDH1A1 (0.35) ALDH1A1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4224088 0.87 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1PTGS2CYP3A4
SCHEMBL4229014 0.86 AQP1 (0.36) ALDH1A1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL4228727 0.86 SLC6A9 (0.35) ALDH1A1PTGS2CYP3A4CYP2D6TSHR

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 GPBAR1 103/4885ALDH1A1 190/4885KMT2A 2254/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A GPBAR1 103/4885ALDH1A1 190/4885KMT2A 2254/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A GPBAR1 281/4885ALDH1A1 283/4885KMT2A 506/4885

“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.