SCHEMBL162643

SCHEMBL162643

CC(C)(C)OC(=O)c1csnc1[O]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.33
HPGDS O60760 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PSMB8 P28062 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
EGFR P00533 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL28764911 0.82 HPGDS (0.35) GRM6HPGDSALDH1A1ADRA1AADRA1B
SCHEMBL5410677 0.81 GRM6 (0.35) GRM6HPGDSALDH1A1ADRA1AADRA1B
SCHEMBL2343995 0.72 FFAR4 (0.39) ALDH1A1MAPTCA12CA1CA2
SCHEMBL161589 0.70 L3MBTL1 (0.40) ALDH1A1ADRA1AMAPTHSD17B10NPSR1
SCHEMBL828580 0.69 EGFR (0.41) ALDH1A1ADRA1AADRA1BTP53MAPT
SCHEMBL159358 0.69 ALDH1A1 (0.35) ALDH1A1ADRA1AADRA1BTP53MAPT
SCHEMBL160544 0.68 CYP2C9 (0.35) ALDH1A1ADRA1AADRA1BTP53MAPT
SCHEMBL161119 0.68 ALOX5 (0.39) ALDH1A1TP53ALOX15
SCHEMBL20263386 0.67 GRM6 (0.35) GRM6HPGDSALDH1A1MAPTCA12
SCHEMBL633988 0.67 PTPN1 (0.38) GRM6HPGDSALDH1A1HSD17B10CA12

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 GRM6 1886/4885HPGDS 3418/4885ALDH1A1 1667/4885

“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.