SCHEMBL163124

SCHEMBL163124

CC(C)COC(=O)c1nc([O])cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
ADORA2B P29275 2/20 0.34
MCL1 Q07820 1/20 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
SCHEMBL160744 0.81 MAPT (0.49) TSHRALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL162542 0.79 ALDH1A1 (0.43) TSHRALDH1A1MAPK1POLBMAPT
SCHEMBL158356 0.78 CA12 (0.38) ALDH1A1POLBMAPTMEN1TP53
SCHEMBL164837 0.76 L3MBTL1 (0.38) TSHRALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL162723 0.76 TSHR (0.46) TSHRALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL162705 0.75 ALDH1A1 (0.42) TSHRALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL161842 0.74 RAB9A (0.45) TSHRALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL162901 0.72 KMT2A (0.44) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL159473 0.71 TSHR (0.46) TSHRALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL162380 0.71 HPGDS (0.38) ALDH1A1MAPTTP53NPSR1HSD17B10

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 TSHR 4862/4885ALDH1A1 1667/4885SMN1; SMN2 1/4885

“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.