SCHEMBL164456

SCHEMBL164456

CC(C)(C)NC(=O)c1cc([O])cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ANO1 Q5XXA6 2/20 0.33
DAO P14920 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL163383 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL16142828 0.81 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL6414962 0.80 POLB (0.44) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL161466 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL163820 0.74 ALDH1A1 (0.49) ALDH1A1GAAMAPK1LMNAMAPT
SCHEMBL160112 0.74 TP53 (0.45) ALDH1A1HPGDMAPK1LMNAPOLB
SCHEMBL163427 0.71 SMN1; SMN2 (0.42) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL161928 0.71 CTPS1 (0.43) ALDH1A1KDM4EGAAHPGDMAPK1
SCHEMBL570284 0.71 MEN1 (0.49) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL5861808 0.71 ULK1 (0.46) KDM4ELMNAPOLBMAPTSMN1; SMN2

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 1667/4885MEN1 4776/4885KMT2A 2544/4885

“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.