SCHEMBL5187644

SCHEMBL5187644

Fc1cc2c(c(-c3c(F)cccc3Cl)c1)O[C@@H](CBr)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.65
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
EZH2 Q15910 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL5187649 1.00 AQP1 (0.65) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4223679 0.94 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4224942 0.94 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5186713 0.88 AQP1 (0.65) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5185008 0.84 AQP1 (0.57) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4228615 0.84 AQP1 (0.58) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4228623 0.84 AQP1 (0.58) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5203385 0.82 AQP1 (0.69) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225768 0.82 AQP1 (0.69) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13911343 0.81 AQP1 (0.76) AQP1PRKAB2PRKAG1PRKAA2PRKAA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802598-A2 ASYMMETRIC SYNTHESIS OF DIHYDROBENZOFURAN DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
WO-2006047288-A2 ASYMMETRIC SYNTHESIS OF DIHYDROBENZOFURAN DERIVATIVES WYETH (US) 2006-05-04 WO disclosed
US-20060089405-A1 Asymmetric synthesis of dihydrobenzofuran derivatives WYETH (US) 2006-04-27 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-20060089405-A1 Asymmetric synthesis of dihydrobenzofuran derivatives DHFR, DHODH, DPYD AQP1 2577/4885PRKAB2 3831/4885PRKAG1 4373/4885

“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.