SCHEMBL159357

SCHEMBL159357

CC(C)(C)OC(=O)n1ccc([O])n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
BUB1 O43683 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
FAAH O00519 1/20 0.34
POLB P06746 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK2 O75116 1/20 0.33
ESR2 Q92731 1/20 0.33
SCD O00767 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
NR1H2 P55055 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
SCHEMBL2959354 0.82 BCHE (0.38) BCHEBUB1HSP90AA1HSP90AB1FAAH
SCHEMBL2013279 0.82 NOS1 (0.46) BCHEBUB1HSP90AA1HSP90AB1GPR119
SCHEMBL306662 0.81 HSP90AA1 (0.39) BCHEBUB1HSP90AA1HSP90AB1FAAH
SCHEMBL17377610 0.81 BCHE (0.37) BCHEBUB1HSP90AA1HSP90AB1FAAH
SCHEMBL20141107 0.81 BCHE (0.37) BCHEBUB1HSP90AA1HSP90AB1FAAH
SCHEMBL22952412 0.81 BCHE (0.37) BCHEBUB1HSP90AA1HSP90AB1FAAH
SCHEMBL165474 0.79 KMT2A (0.38) BCHEMEN1KMT2AALDH1A1LMNA
SCHEMBL7421479 0.79 GABRG2 (0.40) BCHEBUB1MEN1KMT2ASCD
SCHEMBL17633162 0.79 CYP4F2 (0.39) BCHEBUB1HSP90AA1HSP90AB1FAAH
SCHEMBL18068142 0.79 BCHE (0.36) BCHEBUB1HSP90AA1HSP90AB1FAAH

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 BCHE 37/4885BUB1 3929/4885HSP90AA1 3175/4885

“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.