SCHEMBL163383

SCHEMBL163383

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DAO P14920 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C19 P33261 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
SCHEMBL164456 0.81 ALDH1A1 (0.40) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL16142828 0.81 ALDH1A1 (0.59) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL6414962 0.80 POLB (0.44) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL163428 0.74 ALDH1A1 (0.45) ALDH1A1HPGDMAPK1LMNAPOLB
SCHEMBL163821 0.74 ALDH1A1 (0.53) ALDH1A1GAAMAPK1LMNASMN1; SMN2
SCHEMBL294584 0.71 CA12 (0.47) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL5861808 0.71 ULK1 (0.46) KDM4ELMNAPOLBSMN1; SMN2MAPT
SCHEMBL19508649 0.70 ALDH1A1 (0.46) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL162576 0.69 MEN1 (0.44) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL159508 0.69 RAB9A (0.50) ALDH1A1GAAKDM4EHPGDLMNA

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 1667/4885GAA 131/4885MEN1 4776/4885

“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.