SCHEMBL162744

SCHEMBL162744

CC(C)(C)OC(=O)c1nccnc1[O]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA5 P31644 5/20 0.34
GABRA3 P34903 5/20 0.34
GABRA6 Q16445 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATR Q13535 1/20 0.34
GABRA2 P47869 4/20 0.34
GABRB2 P47870 2/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL991175 0.81 ALDH1A1 (0.37) ALDH1A1LMNACYP2C9CYP2C19CYP1A2
SCHEMBL23971112 0.79 ATR (0.46) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL30411093 0.79 ATR (0.46) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL162243 0.78 L3MBTL1 (0.53) ALDH1A1L3MBTL1NPSR1
SCHEMBL30412104 0.75 ALDH1A1 (0.37) ALDH1A1LMNACYP2C9CYP2C19CYP1A2
SCHEMBL28482224 0.75 ALDH1A1 (0.36) ALDH1A1LMNACYP2C9CYP2C19CYP1A2
SCHEMBL23971148 0.75 ALDH1A1 (0.37) ALDH1A1LMNACYP2C9CYP2C19CYP1A2
SCHEMBL159285 0.73 BRD4 (0.50) ALDH1A1CYP1A2L3MBTL1NPSR1
SCHEMBL30441012 0.73 KDM4E (0.46) ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL163493 0.73 POLB (0.45) ALDH1A1LMNAGABRA1GABRG2GABRB3

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 ALDH1A1 1667/4885LMNA 462/4885CYP2C9 3870/4885

“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.