SCHEMBL4219243

SCHEMBL4219243

COc1cc2c(c(-c3cc(F)ccc3F)c1)OC(COS(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
ACHE P22303 4/20 0.35
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAOB P27338 2/20 0.31
CNR2 P34972 1/20 0.31
PKM P14618 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
SCHEMBL4231899 0.93 MAPK14 (0.34) AQP1TP53RXFP1ALDH1A1CYP3A4
SCHEMBL4230089 0.92 AQP1 (0.41) AQP1CA1CA2ACHEALDH1A1
SCHEMBL4222133 0.90 AQP1 (0.40) AQP1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4226401 0.90 ALDH1A1 (0.35) TP53ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4225471 0.87 AQP1 (0.34) AQP1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4220973 0.87 AQP1 (0.37) AQP1CA1TP53RXFP1ALDH1A1
SCHEMBL4228723 0.87 PRKAB2 (0.38) AQP1CA1CA2ACHEALDH1A1
SCHEMBL4230946 0.86 PRKAB2 (0.33) AQP1CA1TP53ALDH1A1CYP3A4
SCHEMBL4233775 0.85 ALDH1A1 (0.37) CA1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4234479 0.85 CYP3A4 (0.38) ALDH1A1CYP3A4CYP2D6TSHRMAPT

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 AQP1 1105/4885CA1 3767/4885CA2 2818/4885

“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.