SCHEMBL4227006

SCHEMBL4227006

Cc1ccc(S(=O)(=O)OCC2Cc3cccc(N)c3O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
KMT2A Q03164 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
LMNA P02545 2/20 0.34
HTR6 P50406 2/20 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
SCHEMBL9375731 0.90 ALDH1A1 (0.39) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL9373240 0.88 ALDH1A1 (0.38) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4220854 0.87 ALDH1A1 (0.39) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4224280 0.87 ALDH1A1 (0.41) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL9446303 0.87 ALDH1A1 (0.39) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4225370 0.87 PRKAB2 (0.42) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4218710 0.87 MEN1 (0.41) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4231318 0.86 KMT2A (0.40) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL4222604 0.85 ALDH1A1 (0.36) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4226990 0.85 ALDH1A1 (0.41) CA2ALDH1A1CYP2D6CYP3A4TSHR

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 CA2 2818/4885ALDH1A1 190/4885CYP2D6 162/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A CA2 2818/4885ALDH1A1 190/4885CYP2D6 162/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A CA2 2836/4885ALDH1A1 283/4885CYP2D6 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.