SCHEMBL4224088

SCHEMBL4224088

Cc1ccc(S(=O)(=O)OCC2Cc3cc(C(F)(F)F)cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3O2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
PTPN1 P18031 1/20 0.31
CTSA P10619 1/20 0.31
FFAR1 O14842 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
SCHEMBL4235581 0.92 GPR52 (0.34) ALDH1A1CYP3A4CYP2D6TSHRMAPK1
SCHEMBL4226047 0.91 IDH2 (0.35) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4220339 0.90 GPR52 (0.39) ALDH1A1CYP3A4CYP2D6TSHRMAPK1
SCHEMBL4228727 0.90 SLC6A9 (0.35) ALDH1A1CYP3A4CYP2D6TSHRMAPK1
SCHEMBL4226072 0.89 RORC (0.34) ALDH1A1MAPTPTGS2MEN1KMT2A
SCHEMBL4235231 0.87 PTGS2 (0.36) PTGS2FFAR1FFAR4PTGS1
SCHEMBL4234469 0.87 GPBAR1 (0.34) ALDH1A1CYP3A4CYP2D6TSHRMAPK1
SCHEMBL4225471 0.86 AQP1 (0.34) ALDH1A1CYP3A4CYP2D6TSHRMAPK1
SCHEMBL4230195 0.86 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2D6TSHRMAPK1
SCHEMBL4226552 0.85 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2D6TSHRMAPK1

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 5 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
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

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 ALDH1A1 190/4885CYP3A4 241/4885CYP2D6 162/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A ALDH1A1 190/4885CYP3A4 241/4885CYP2D6 162/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A ALDH1A1 283/4885CYP3A4 538/4885CYP2D6 238/4885

“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.