SCHEMBL166665

SCHEMBL166665

CC(C)OC(=O)c1cc([O])[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
CA12 O43570 6/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA7 P43166 6/20 0.42
CA9 Q16790 6/20 0.42
CA14 Q9ULX7 6/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
HCAR3 P49019 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL164373 0.83 GABRA1 (0.45) MAPK1L3MBTL1HCAR2HCAR3POLB
SCHEMBL25186196 0.82 MAPK1 (0.61) MAPK1CA12CA1CA2CA7
SCHEMBL163583 0.79 MAPK1 (0.67) MAPK1KDM4ELMNAL3MBTL1HCAR2
SCHEMBL163888 0.78 TSHR (0.45) MAPK1KDM4ETP53L3MBTL1HCAR2
SCHEMBL11094730 0.77 HCAR2 (0.44) MAPK1CA12CA1CA2CA7
SCHEMBL24117299 0.77 MAPK1 (0.39) MAPK1CA12CA1CA2CA7
SCHEMBL162738 0.76 MAPK1 (0.44) MAPK1LMNAL3MBTL1HCAR2ALDH1A1
SCHEMBL6722955 0.76 HPGD (0.46) MAPK1CA12CA1CA2CA7
SCHEMBL164014 0.75 ADORA3 (0.45) MAPK1KDM4ETP53HCAR2HCAR3
SCHEMBL163302 0.75 KMT2A (0.54) MAPK1TP53L3MBTL1ALDH1A1POLB

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 MAPK1 2988/4885CA12 4471/4885CA1 2770/4885

“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.