SCHEMBL159589

SCHEMBL159589

CC(C)(C)NC(=O)c1coc([O])n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NLRP3 Q96P20 5/20 0.38
TBXA2R P21731 1/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL18232988 0.81 HDAC1 (0.42) ALDH1A1LMNAL3MBTL1NLRP3TBXA2R
SCHEMBL18407331 0.81 IRAK4 (0.39) ALDH1A1LMNAL3MBTL1NLRP3TBXA2R
SCHEMBL161890 0.75 NPC1 (0.43) ALDH1A1TBXA2RHDAC1HDAC8HDAC6
SCHEMBL162560 0.72 NPC1 (0.46) ALDH1A1LMNAL3MBTL1TBXA2RMAOB
SCHEMBL161081 0.72 DAGLA (0.43) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL162568 0.71 ALDH1A1 (0.36) ALDH1A1LMNAL3MBTL1MAOAMAOB
SCHEMBL164417 0.71 HPGDS (0.35) ALDH1A1
SCHEMBL161551 0.71 RAB9A (0.48) ALDH1A1LMNAMAOB
SCHEMBL15204281 0.70 RAB9A (0.47) ALDH1A1L3MBTL1MAOAMAOB
SCHEMBL18157899 0.69 POLB (0.50) ALDH1A1LMNAL3MBTL1CNR2

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 1667/4885LMNA 462/4885L3MBTL1 1654/4885

“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.