SCHEMBL164417

SCHEMBL164417

CC(C)(C)OC(=O)c1coc([O])n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.35
GABRG2 P18507 11/20 0.35
GABRB3 P28472 11/20 0.35
GABRA1 P14867 10/20 0.35
GABRA3 P34903 10/20 0.35
GABRA2 P47869 10/20 0.35
GABRA5 P31644 10/20 0.35
GABRA6 Q16445 8/20 0.35
GABRA4 P48169 5/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRE P78334 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL28575317 0.81 FBP1 (0.53) HPGDSGABRG2GABRB3GABRA1GABRA3
SCHEMBL161081 0.79 DAGLA (0.43) MAPTTP53FBP1CYP2C9CYP2C19
SCHEMBL800430 0.79 GABRG2 (0.35) HPGDSGABRG2GABRB3GABRA1GABRA3
SCHEMBL25014083 0.77 FBP1 (0.36) HPGDSGABRG2GABRB3GABRA1GABRA3
SCHEMBL11035430 0.77 GABRG2 (0.33) HPGDSGABRG2GABRB3GABRA1GABRA3
SCHEMBL162928 0.75 ALDH1A1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL160214 0.75 CYP1A2 (0.53) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL30424999 0.74 ALDH1A1 (0.59) HPGDSGABRG2GABRB3GABRA1GABRA3
SCHEMBL163138 0.72 ALDH1A1 (0.43) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL15204449 0.71 MAPT (0.34) HPGDSCA12CA1CA2CA9

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 HPGDS 3418/4885GABRG2 3566/4885GABRB3 1912/4885

“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.