SCHEMBL163626

SCHEMBL163626

CC(C)(C)OC(=O)c1cc([O])on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GABRG2 P18507 12/20 0.38
GABRB3 P28472 12/20 0.38
GABRA1 P14867 11/20 0.38
GABRA2 P47869 11/20 0.38
GABRA5 P31644 11/20 0.38
GABRA3 P34903 10/20 0.38
GABRA6 Q16445 9/20 0.38
GABRA4 P48169 5/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRE P78334 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
TP53 P04637 2/20 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
SCHEMBL28950613 0.81 NPC1 (0.49) CYP2C9CYP2C19NPSR1TP53MAPT
SCHEMBL160032 0.79 TP53 (0.51) CYP2C19NPSR1TP53MAPTHSD17B10
SCHEMBL18527352 0.75 CYP2C9 (0.38) CYP2C9CYP2C19NPSR1GABRG2GABRB3
SCHEMBL163839 0.74 CA12 (0.43) CYP2C9CYP2C19TP53MAPTHSD17B10
SCHEMBL162619 0.74 CYP1A2 (0.50) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL164388 0.71 ALDH1A1 (0.49) NPSR1GABRG2GABRB3GABRA1GABRA2
SCHEMBL163576 0.70 MAPT (0.40) TP53MAPTNPC1RAB9A
SCHEMBL162738 0.70 MAPK1 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL31124076 0.70 MAPT (0.48) CYP2C9CYP2C19NPSR1MAPT
SCHEMBL15205035 0.70 TSHR (0.50) NPSR1TP53MAPTHSD17B10NPC1

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 CYP2C9 3870/4885CYP2C19 4178/4885NPSR1 4694/4885

“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.