SCHEMBL162541

SCHEMBL162541

CC(C)COC(=O)c1nc([O])c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
MAP3K7 O43318 4/20 0.36
TAB1 Q15750 4/20 0.36
KDM4E B2RXH2 1/20 0.36
CACNA1F O60840 3/20 0.35
CACNA1D Q01668 3/20 0.35
CACNA1S Q13698 3/20 0.35
CACNA1C Q13936 3/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL162807 0.81 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL161515 0.79 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ETDP1
SCHEMBL160391 0.78 CA12 (0.42) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL159282 0.76 L3MBTL1 (0.38) ALDH1A1TSHRMAP3K7TAB1KDM4E
SCHEMBL159378 0.74 ALDH1A1 (0.45) ALDH1A1TSHRMAP3K7TAB1KDM4E
SCHEMBL163219 0.71 ABCG2 (0.32) ALDH1A1MAPT
SCHEMBL165034 0.71 KMT2A (0.42) ALDH1A1KDM4ENPC1HTTRAB9A
SCHEMBL162809 0.69 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ECACNA1FCACNA1D
SCHEMBL162881 0.69 TSHR (0.54) ALDH1A1TSHRMAP3K7TAB1KDM4E
SCHEMBL163859 0.68 CREBBP (0.39) TSHRNPC1HTTSMN1; 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 1667/4885TSHR 4862/4885MAP3K7 2570/4885

“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.