SCHEMBL4236010

SCHEMBL4236010

Cc1ccc(S(=O)(=O)OCC2Cc3cc(C)cc(-c4ccc(Cl)cc4Cl)c3O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.48
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
EZH2 Q15910 1/20 0.33
PTGS2 P35354 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
F2RL3 Q96RI0 2/20 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
SCHEMBL4234327 0.94 AQP1 (0.48) AQP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4225686 0.92 AQP1 (0.39) AQP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4229086 0.91 AQP1 (0.60) AQP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4231348 0.89 AQP1 (0.42) AQP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4231128 0.89 ALDH1A1 (0.36) AQP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4230146 0.88 MAPT (0.36) AQP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4222020 0.87 AQP1 (0.39) AQP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4235892 0.85 GRM5 (0.37) AQP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4226785 0.85 AQP1 (0.47) AQP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4224911 0.84 ALDH1A1 (0.37) CYP3A4CYP2D6ALDH1A1TSHRCYP2C19

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 1105/4885CYP3A4 241/4885CYP2D6 162/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885CYP3A4 241/4885CYP2D6 162/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885CYP3A4 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.