SCHEMBL394313

SCHEMBL394313

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
CDC25B P30305 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 2/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 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
SCHEMBL393653 0.87 ADRB2 (0.46) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL395083 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL394005 0.85 ALDH1A1 (0.41) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL393274 0.84 SCN1A (0.44) ALDH1A1L3MBTL1TSHRCASP3RAB9A
SCHEMBL392543 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1TSHRCASP3RAB9A
SCHEMBL395780 0.83 SCN1A (0.48) ADRB2ALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL395048 0.82 LMNA (0.45) ALDH1A1L3MBTL1TSHRMAPK1POLB
SCHEMBL392222 0.82 ALDH1A1 (0.39) ALDH1A1HPGDL3MBTL1RAB9ATDP1
SCHEMBL393185 0.81 MAPT (0.41) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL395208 0.81 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
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
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO 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 ADRB2 1931/4885ADRB1 2179/4885ADRB3 2301/4885

“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.