SCHEMBL162927

SCHEMBL162927

CC(C)COC(=O)c1nc([O])co1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.34
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
ADORA1 P30542 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
NPY1R P25929 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
SCHEMBL161794 0.81 CYP1A2 (0.44) ALDH1A1TSHRSMN1; SMN2HSD17B10LMNA
SCHEMBL166417 0.79 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL162382 0.76 L3MBTL1 (0.38) ALDH1A1SMN1; SMN2HSD17B10LMNAADORA2B
SCHEMBL161503 0.74 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2LMNAPLA2G1B
SCHEMBL158297 0.71 HTT (0.44) ALDH1A1SMN1; SMN2HSD17B10LMNAKDM4E
SCHEMBL161474 0.69 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2PLA2G1BATG4B
SCHEMBL10795129 0.68 ALDH1A1 (0.63) ALDH1A1TSHRSMN1; SMN2PLA2G1BATG4B
SCHEMBL162541 0.68 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2PLA2G1BATG4B
SCHEMBL162506 0.68 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2HSD17B10LMNA
SCHEMBL163124 0.68 TSHR (0.45) ALDH1A1TSHRSMN1; SMN2HSD17B10LMNA

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 4862/4885SMN1; 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.