SCHEMBL393274

SCHEMBL393274

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.44
SCN2A Q99250 3/20 0.44
SCN3A Q9NY46 3/20 0.44
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CHRNA4 P43681 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL392885 0.87 SCN1A (0.49) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL394005 0.86 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL392819 0.85 MAPT (0.49) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL392543 0.84 ALDH1A1 (0.40) ALDH1A1TDP1CHRNB2CHRNB4CHRNA3
SCHEMBL394313 0.84 ADRB2 (0.42) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL395780 0.84 SCN1A (0.48) SCN1ASCN2ASCN3AALDH1A1TDP1
SCHEMBL393102 0.82 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL395208 0.82 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL393477 0.81 ALDH1A1 (0.43) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL394986 0.81 ALDH1A1 (0.43) ALDH1A1TDP1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 SCN1A 3690/4885SCN2A 2151/4885SCN3A 3261/4885

“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.