SCHEMBL4230657

SCHEMBL4230657

Cc1ccc(S(=O)(=O)OCC2Cc3cc(F)cc(-c4cc(C)ccc4C)c3O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.40
CYP2D6 P10635 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PTGS2 P35354 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
HMGCR P04035 1/20 0.30

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
SCHEMBL4220973 0.91 AQP1 (0.37) AQP1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4229947 0.91 AQP1 (0.40) AQP1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4226600 0.90 AQP1 (0.38) AQP1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4230089 0.89 AQP1 (0.41) AQP1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4233543 0.88 AQP1 (0.39) AQP1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4233775 0.88 ALDH1A1 (0.37) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL4230303 0.87 AQP1 (0.47) AQP1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4234505 0.87 AQP1 (0.40) AQP1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4230948 0.86 AQP1 (0.47) AQP1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4235761 0.85 AQP1 (0.50) AQP1CYP2D6ALDH1A1CYP3A4TSHR

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 AQP1 1105/4885CYP2D6 162/4885ALDH1A1 190/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885CYP2D6 162/4885ALDH1A1 190/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885CYP2D6 238/4885ALDH1A1 283/4885

“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.