SCHEMBL166344

SCHEMBL166344

CNC(=O)c1ccoc1[O]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLK1 P53350 1/20 0.40
POLB P06746 5/20 0.40
TDP1 Q9NUW8 3/20 0.39
ESR1 P03372 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL8317330 0.79 MAPK1 (0.62) TSHRMAPK1ESR2CYP3A4CYP2C9
SCHEMBL163478 0.79 POLB (0.45) GAATSHRMAPK1ESR2POLB
SCHEMBL164598 0.79 HPGD (0.49) GAATSHRMAPK1ESR2POLB
SCHEMBL163351 0.79 CYP2C19 (0.50) GAATSHRCYP3A4CYP2C9CYP2C19
SCHEMBL161521 0.76 ALDH1A1 (0.55) GAATSHRCYP3A4CYP2C9CYP2C19
SCHEMBL165259 0.75 HSD17B10 (0.44) GAATSHRMAPK1POLBKMT2A
SCHEMBL162769 0.73 MEN1 (0.55) TSHRMAPK1CYP2C9TDP1KMT2A
SCHEMBL163379 0.73 ALDH1A1 (0.64) GAATSHRPOLBKMT2AMEN1
SCHEMBL6464252 0.73 CFTR (0.44) GAATSHRMAPK1ESR2CYP3A4
SCHEMBL161241 0.73

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 GAA 131/4885TSHR 4862/4885MAPK1 2988/4885

“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.