SCHEMBL163284

SCHEMBL163284

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 4/20 0.53
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL162511 0.81 TSHR (0.48) ALDH1A1TSHRMAPTKDM4ENPC1
SCHEMBL162639 0.79 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1
SCHEMBL166342 0.78 CA12 (0.41) ALDH1A1TSHRMAPTKDM4ENPC1
SCHEMBL165450 0.76 TSHR (0.54) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1
SCHEMBL161589 0.76 L3MBTL1 (0.40) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL164391 0.75 MAPT (0.39) ALDH1A1TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL5078844 0.75 TSHR (0.63) ALDH1A1TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL163649 0.73 HTT (0.46) ALDH1A1TSHRSMN1; SMN2KDM4ENPC1
SCHEMBL827863 0.73 TSHR (0.70) ALDH1A1TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL162881 0.72 TSHR (0.54) ALDH1A1TSHRMAPTSMN1; SMN2KDM4E

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 1667/4885TSHR 4862/4885MAPT 261/4885

“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.