SCHEMBL390695

SCHEMBL390695

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
MMP12 P39900 1/20 0.39
MGLL Q99685 1/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGIR P43119 1/20 0.38
PTGDR Q13258 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
SCHEMBL395276 0.92 MAPT (0.45) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL393493 0.89 MAPT (0.45) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL395726 0.88 KMT2A (0.48) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL392819 0.88 MAPT (0.49) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL394173 0.88 MAPT (0.47) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL393109 0.87 KMT2A (0.44) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL395232 0.86 MAPT (0.44) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL392862 0.84 MAPT (0.43) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL395808 0.84 CYP1A2 (0.38) MAPTALDH1A1LMNAKMT2ARAB9A
SCHEMBL393202 0.84 MAPT (0.42) MAPTALDH1A1HPGDLMNAKMT2A

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 5 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
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 MAPT 4452/4885ALDH1A1 1826/4885HPGD 4764/4885

“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.