SCHEMBL392835

SCHEMBL392835

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
AKR1B1 P15121 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.39
MGLL Q99685 2/20 0.37
LMNA P02545 2/20 0.36
KLK6 Q92876 1/20 0.36

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
SCHEMBL393102 0.88 ALDH1A1 (0.59) PAML3MBTL1ALDH1A1MAPK1ADRB2
SCHEMBL189776 0.82 ALDH1A1 (0.50) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL392961 0.81 TACR1 (0.39) L3MBTL1ALDH1A1HTT
SCHEMBL395143 0.80 LMNA (0.45) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL390294 0.78 SCN1A (0.52) L3MBTL1ALDH1A1MAPK1ADRB2TSHR
SCHEMBL395208 0.77 ALDH1A1 (0.44) L3MBTL1ALDH1A1MAPK1TSHRKMT2A
SCHEMBL390381 0.77 MAPK1 (0.41) ALDH1A1MAPK1ADRB2ADRB1ADRB3
SCHEMBL392988 0.77 KDM4E (0.46) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL4629371 0.77 ALDH1A1 (0.45) L3MBTL1ALDH1A1MAPK1HTT
SCHEMBL390167 0.76 LMNA (0.48) L3MBTL1ALDH1A1KMT2AMEN1AKR1B1

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 PAM 581/4885L3MBTL1 3336/4885ALDH1A1 1826/4885

“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.