SCHEMBL160666

SCHEMBL160666

CC(C)(C)OC(=O)c1cc([O])cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.33
DAO P14920 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGDS O60760 1/20 0.33
CTPS1 P17812 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA3 P34903 2/20 0.31

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
SCHEMBL1753907 0.81 CES2 (0.53) ALDH1A1NPSR1DAOHPGDSCTPS1
SCHEMBL5292745 0.81 DAO (0.55) ALDH1A1NPSR1DAOCYP2C9CYP2C19
SCHEMBL16753610 0.79 DAO (0.47) ALDH1A1DAOHPGDSCA12CA1
SCHEMBL5857383 0.79 GSK3B (0.51) ALDH1A1NPSR1DAOHPGDSCA12
SCHEMBL161928 0.79 CTPS1 (0.43) ALDH1A1NPSR1DAOCTPS1CA12
SCHEMBL23092955 0.77 ALDH1A1 (0.37) ALDH1A1DAOHPGDSCTPS1
SCHEMBL18153026 0.77 ALDH1A1 (0.37) ALDH1A1DAOHPGDSCTPS1MAPT
SCHEMBL15057163 0.77 CA12 (0.39) ALDH1A1CTPS1CA12CA1CA2
SCHEMBL13141281 0.76 MAPT (0.42) ALDH1A1NPSR1DAOHPGDSMAPT
SCHEMBL18153011 0.76 ALDH1A1 (0.36) ALDH1A1DAOHPGDSMAPTGABRA1

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 1667/4885NPSR1 4694/4885DAO 1270/4885

“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.