SCHEMBL394865

SCHEMBL394865

CCCCOC(=O)N(CC(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 3/20 0.40
TSHR P16473 6/20 0.38
HPGD P15428 1/20 0.38
NAAA Q02083 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PLA2G2A P14555 1/20 0.35
BLM P54132 1/20 0.35
ESR1 P03372 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
EPHX1 P07099 1/20 0.33
CYP2D6 P10635 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL24059782 0.95 NAAA (0.42) ALDH1A1ATMHCAR2TSHRNAAA
SCHEMBL12928355 0.84 ALDH1A1 (0.47) ALDH1A1ATMHCAR2TSHRHPGD
Succinic Acid SCHEMBL28312238 0.82 ALDH1A1 (0.39) ALDH1A1ATMHCAR2TSHRTDP1
SCHEMBL389129 0.81 PAM (0.42) ALDH1A1ATMTSHRTDP1BLM
SCHEMBL1241861 0.81 MAPT (0.36) ALDH1A1TSHRHPGDL3MBTL1LMNA
SCHEMBL27685463 0.79 ALDH1A1 (0.42) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL394926 0.79 PAM (0.51) ALDH1A1TSHRTDP1ESR1LMNA
SCHEMBL547235 0.78 ALDH1A1 (0.48) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL6092796 0.78 ALDH1A1 (0.41) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL27685465 0.78 ATM (0.43) ALDH1A1ATMHCAR2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
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
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
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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 ALDH1A1 1826/4885ATM 3806/4885HCAR2 1956/4885

“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.