SCHEMBL159494

SCHEMBL159494

CC(C)(C)NC(=O)c1cc([O])sn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ANO1 Q5XXA6 6/20 0.35
MAPT P10636 1/20 0.34
JAK2 O60674 1/20 0.34
SYK P43405 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
SCHEMBL159526 0.79 BAZ2B (0.42) ALDH1A1KDM4EGAAHPGDCNR1
SCHEMBL160439 0.75 NPC1 (0.43) ALDH1A1KDM4EHPGDMAPK1CNR1
SCHEMBL164004 0.70 RAB9A (0.47) ALDH1A1GAAHPGDMAPK1LMNA
SCHEMBL163576 0.69 MAPT (0.40) ALDH1A1GLAMAPK1CNR2CNR1
SCHEMBL164358 0.68 ALDH1A1 (0.40) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL160116 0.68 KMT2A (0.42) ALDH1A1KDM4EGAAHPGDMAPK1
SCHEMBL163357 0.67 ANO1 (0.51) ANO1
SCHEMBL165757 0.67 CNR2 (0.37) ALDH1A1KDM4EGAAHPGDCNR2
SCHEMBL18157899 0.66 POLB (0.50) ALDH1A1KDM4EGAAMAPK1CNR2
SCHEMBL166717 0.66 POLB (0.41) ALDH1A1KDM4EGLAGAAHPGD

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 1667/4885KDM4E 2214/4885GLA 2710/4885

“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.