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SCHEMBL4221920

SCHEMBL4221920

Cc1ccc(S(=O)(=O)OCC2Cc3cccc(-c4cc(Cl)ccc4Cl)c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ AQP1 P29972 3/20 0.34
▸ PRKAB2 O43741 2/20 0.34
▸ PRKAG1 P54619 2/20 0.34
▸ PRKAA2 P54646 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ PRKAG3 Q9UGI9 2/20 0.34
▸ PRKAG2 Q9UGJ0 2/20 0.34
▸ PRKAB1 Q9Y478 2/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ ALOX12 P18054 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
SCHEMBL4225293 0.93 ALDH1A1 (0.35) ALDH1A1AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL4231348 0.92 AQP1 (0.42) ALDH1A1AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL4621540 0.91 CA2 (0.38) ALDH1A1PRMT5WDR77CYP3A4CYP2D6
SCHEMBL4226514 0.91 ALDH1A1 (0.35) ALDH1A1AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL4222020 0.90 AQP1 (0.39) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4224731 0.90 ALDH1A1 (0.39) ALDH1A1AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL4231292 0.90 PRKAB2 (0.41) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225686 0.89 AQP1 (0.39) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4230849 0.88 AQP1 (0.38) ALDH1A1AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL4230665 0.88 PRKAB2 (0.39) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1

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 ALDH1A1 190/4885AQP1 1105/4885PRKAB2 2598/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A ALDH1A1 190/4885AQP1 1105/4885PRKAB2 2598/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A ALDH1A1 283/4885AQP1 2290/4885PRKAB2 2184/4885

“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.