SCHEMBL5745401

SCHEMBL5745401

CCC(C)Oc1cccc(CC(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.51
▸ MTNR1A P48039 6/20 0.46
▸ MTNR1B P49286 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ CTBP2 P56545 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL5743637 0.85 PLA2G4B (0.49) MTNR1AMTNR1BCTBP2
SCHEMBL28035509 0.84 SLC7A5 (0.52) SLC7A5ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL18920453 0.82 SLC7A5 (0.54) SLC7A5ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL378705 0.81 SMN1; SMN2 (0.61) SLC7A5MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL31249652 0.81 SMN1; SMN2 (0.61) SLC7A5MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL2767480 0.80 SMN1; SMN2 (0.53) SLC7A5ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL13803187 0.80 TSHR (0.44) MTNR1AMTNR1BSMN1; SMN2TSHRGAA
SCHEMBL758042 0.80 TSHR (0.44) MTNR1AMTNR1BSMN1; SMN2TSHRGAA
SCHEMBL12327116 0.79 MAPK1 (0.47) MTNR1AMTNR1BALDH1A1SMN1; SMN2TSHR
SCHEMBL12400239 0.79 SLC7A5 (0.68) SLC7A5ALDH1A1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 — — US disclosed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 — — EP disclosed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 — — US disclosed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — 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 (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-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors GFPT1, GLS2, GLS SLC7A5 203/4885MTNR1A 3487/4885MTNR1B 3197/4885

“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.

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