SCHEMBL4231128

SCHEMBL4231128

Cc1ccc(S(=O)(=O)OCC2Cc3cc(C)cc(-c4ccccc4Cl)c3O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
AQP1 P29972 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
VDR P11473 1/20 0.34
TP53 P04637 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CA2 P00918 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
SCHEMBL4225513 0.93 AQP1 (0.37) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4226492 0.91 ALDH1A1 (0.36) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4230948 0.91 AQP1 (0.47) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4232197 0.90 HPRT1 (0.34) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4226785 0.90 AQP1 (0.47) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4224731 0.90 ALDH1A1 (0.39) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4225686 0.89 AQP1 (0.39) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4236010 0.89 AQP1 (0.48) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4234252 0.88 ALDH1A1 (0.36) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4219062 0.87 TSHR (0.38) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9

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 190/4885AQP1 1105/4885CYP3A4 241/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A ALDH1A1 190/4885AQP1 1105/4885CYP3A4 241/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A ALDH1A1 283/4885AQP1 2290/4885CYP3A4 538/4885

“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.