SCHEMBL4220973

SCHEMBL4220973

COc1ccc(C)c(-c2cc(F)cc3c2OC(COS(=O)(=O)c2ccc(C)cc2)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.37
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
MAOB P27338 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP24A1 Q07973 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
SCHEMBL4230657 0.91 AQP1 (0.40) AQP1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL4233775 0.89 ALDH1A1 (0.37) FFAR4ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL4219243 0.87 AQP1 (0.35) AQP1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL4229947 0.86 AQP1 (0.40) AQP1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL4226600 0.86 AQP1 (0.38) AQP1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL4228784 0.85 CYP3A4 (0.41) ALDH1A1MAPTCYP3A4CYP2D6TSHR
SCHEMBL4231899 0.85 MAPK14 (0.34) AQP1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL4230767 0.85 AQP1 (0.38) AQP1ALDH1A1MAPTTSHRMAPK1
SCHEMBL4225277 0.84 ALDH1A1 (0.36) ALDH1A1MAPTCYP3A4CYP2D6TSHR
SCHEMBL4230089 0.84 AQP1 (0.41) AQP1ALDH1A1MAPTCYP3A4CYP2D6

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 AQP1 1105/4885FFAR4 125/4885ALDH1A1 190/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885FFAR4 125/4885ALDH1A1 190/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885FFAR4 257/4885ALDH1A1 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.