SCHEMBL4218971

SCHEMBL4218971

COc1ccccc1NC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
TP53 P04637 4/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 10/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.58

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
SCHEMBL4912470 0.91 GAA (0.78) GAATP53LMNAMAPTALDH1A1
SCHEMBL4910629 0.91 GAA (0.78) GAATP53LMNAMAPTALDH1A1
SCHEMBL4223383 0.90 MAPT (0.63) GAATP53LMNAMAPTALDH1A1
SCHEMBL4598292 0.89 MAPT (0.74) GAATP53LMNAMAPTALDH1A1
SCHEMBL4910091 0.88 MAPT (0.74) GAATP53LMNAMAPTALDH1A1
SCHEMBL4224788 0.86 GAA (0.80) GAATP53LMNAMAPTALDH1A1
SCHEMBL4220119 0.83 MAPT (0.69) GAATP53LMNAMAPTALDH1A1
SCHEMBL4218366 0.82 TP53 (0.60) GAATP53LMNAMAPTALDH1A1
SCHEMBL4223815 0.82 ALDH1A1 (0.67) GAATP53LMNAMAPTALDH1A1
SCHEMBL952347 0.81 ALDH1A1 (0.58) GAATP53LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US claimed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 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-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 GAA 202/4885TP53 3543/4885LMNA 4644/4885

“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.