SCHEMBL2070387

SCHEMBL2070387

C=CCOC(=O)N(N)C(=O)OCC=C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SNCA P37840 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APP P05067 1/20 0.32
GAA P10253 1/20 0.30
RHOA P61586 1/20 0.30

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
SCHEMBL2070390 0.89 MAPT (0.39) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
SCHEMBL12006510 0.84
SCHEMBL6212156 0.84 TSHR (0.49) MAPTCYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL5134780 0.80 MAPT (0.39) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
SCHEMBL3673218 0.78
SCHEMBL797852 0.76
SCHEMBL461759 0.76
SCHEMBL18756267 0.76 MAPT (0.36) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
SCHEMBL1906085 0.74 TSHR (0.41) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
SCHEMBL9482612 0.74 CYP3A4 (0.39) MAPTCACNA1BAPBA1CYP3A4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902381-B2 Synthesising method and benzoxathiepine intermediates PIERRE FABRE MEDICAMENT (FR) 2011-03-08 US disclosed
US-20080234499-A1 Synthesising Method and Benzoxathiepine Intermediates PIERRE FABRE MEDICAMENT (FR) 2008-09-25 US 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-20080234499-A1 Synthesising Method and Benzoxathiepine Intermediates CYP2F1, CYP2E1, CBR1 MAPT 4418/4885CACNA1B 2673/4885APBA1 2180/4885

“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.