SCHEMBL5089429

SCHEMBL5089429

CCOC(=O)[C@@]1(N)[C@H]2[C@@H](C[C@H]1SCc1cccc(C(F)(F)F)c1)[C@]2(F)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
EPHX1 P07099 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GFER P55789 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5100368 0.83 GRM2 (0.39) MAPTEPHX1SMN1; SMN2GRM2GRM3
SCHEMBL5092398 0.83 GRM2 (0.52) EPHX1GRM2GRM3
SCHEMBL5092717 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GRM2GRM3KDM4E
SCHEMBL5089416 0.77 GRM2 (0.56) GRM2GRM3
SCHEMBL5095059 0.76 SLC6A2 (0.38) SMN1; SMN2GRM2GRM3
SCHEMBL5094435 0.71 GRM2 (0.38) GRM2GRM3
SCHEMBL701131 0.68 ALDH1A1 (0.61) ALDH1A1MAPTHPGDSMN1; SMN2THRB
SCHEMBL5100253 0.68 GRM2 (0.52) GRM2GRM3
SCHEMBL231399 0.67 GRM2 (0.38) GRM2GRM3
SCHEMBL4967199 0.67 GRM2 (0.52) GRM2GRM3

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-7381746-B2 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 US claimed
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-06-29 US claimed
US-7381746-B2 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 US disclosed
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-06-29 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-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative GRIA3, GRIN3A, GRM3 ALDH1A1 1403/4885MAPT 1715/4885HPGD 3318/4885

“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.