SCHEMBL162729

SCHEMBL162729

CC(C)(C)OC(=O)c1cc([O])cnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.41
GABRB3 P28472 13/20 0.41
GABRA5 P31644 12/20 0.41
GABRA1 P14867 12/20 0.41
GABRA2 P47869 12/20 0.41
GABRA3 P34903 11/20 0.41
GABRA6 Q16445 10/20 0.40
GABRA4 P48169 5/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRE P78334 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
HPGDS O60760 1/20 0.35
USP30 Q70CQ3 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL160894 0.80 MAPK1 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL160044 0.76 CA12 (0.41) ALDH1A1TP53MAPTCA12CA1
SCHEMBL163615 0.72 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL30884087 0.71 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL27694230 0.70 P2RX7 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL30489013 0.70 P2RX7 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL162738 0.68 MAPK1 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL163626 0.68 CYP2C9 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL22970774 0.68 LMNA (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL159442 0.67 HPGDS (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2

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 GABRG2 3566/4885GABRB3 1912/4885GABRA5 3224/4885

“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.