SCHEMBL4226492

SCHEMBL4226492

COc1cc2c(c(-c3ccccc3Cl)c1)OC(COS(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPK14 Q16539 4/20 0.36
BRD4 O60885 1/20 0.34
AQP1 P29972 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 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
MAOA P21397 1/20 0.33
VDR P11473 1/20 0.33

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
SCHEMBL4225172 0.93 AQP1 (0.35) ALDH1A1MAPK14BRD4AQP1CYP3A4
SCHEMBL4231128 0.91 ALDH1A1 (0.36) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4225277 0.91 ALDH1A1 (0.36) ALDH1A1BRD4CYP3A4CYP2D6TSHR
SCHEMBL4225513 0.90 AQP1 (0.37) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4219829 0.90 AQP1 (0.37) ALDH1A1BRD4AQP1CYP3A4CYP2D6
SCHEMBL4234479 0.89 CYP3A4 (0.38) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4230948 0.89 AQP1 (0.47) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4226401 0.89 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2D6TSHRL3MBTL1
SCHEMBL4232197 0.88 HPRT1 (0.34) ALDH1A1AQP1CYP3A4CYP2D6TSHR
SCHEMBL4222464 0.87 MAPT (0.34) 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 190/4885MAPK14 2810/4885BRD4 2918/4885

“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.