SCHEMBL5878693

SCHEMBL5878693

C=CCOc1cc(C)c(S)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
KAT6A Q92794 1/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MGAM O43451 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL29327521 0.82 GAA (0.42) GAAMAPTALDH1A1SLC5A1SLC5A2
SCHEMBL12704391 0.78 CYP3A4 (0.53) GAAMAPTALDH1A1SLC5A1SLC5A2
SCHEMBL4861376 0.77 ALDH1A1 (0.49) GAAMAPTALDH1A1SLC5A1SLC5A2
SCHEMBL7795203 0.76 KAT6A (0.42) GAAMAPTALDH1A1SLC5A1SLC5A2
SCHEMBL12553556 0.75 CYP3A4 (0.63) GAAMAPTALDH1A1SLC5A1SLC5A2
SCHEMBL18984966 0.75 SLC5A1 (0.46) GAAMAPTALDH1A1SLC5A1SLC5A2
SCHEMBL16015475 0.75 SLC5A1 (0.46) GAAMAPTALDH1A1SLC5A1SLC5A2
SCHEMBL3963684 0.75 KAT6A (0.45) GAAMAPTALDH1A1SLC5A1SLC5A2
SCHEMBL8385349 0.75 ALDH1A1 (0.48) GAAMAPTALDH1A1SLC5A1SLC5A2
SCHEMBL10400282 0.74 MCL1 (0.47) GAAALDH1A1HPGDLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129234-B2 Phenyl heterocyclyl ethers PFIZER INC. (US) 2006-10-31 US disclosed
EP-1377550-B9 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2005-11-23 EP disclosed
CN-1656072-A Phenyl heterocyclyl ether derivatives as 5-hydroxytryptamine reuptake inhibitors PFIZER (US) 2005-08-17 CN disclosed
EP-1377550-B1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2004-11-03 EP disclosed
US-20040106594-A1 Phenyl heterocyclyl ethers PFIZER INC 2004-06-03 US disclosed
EP-1377550-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030207857-A1 Phenyl heterocyclyl ethers PFIZER INC. 2003-11-06 US disclosed
WO-2002083643-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2002-10-24 WO 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 (2 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-20030207857-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI GAA 2629/4885MAPT 1689/4885ALDH1A1 203/4885
US-20040106594-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI GAA 2629/4885MAPT 1689/4885ALDH1A1 203/4885

“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.