SCHEMBL389129

SCHEMBL389129

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.42
DGKA P23743 1/20 0.39
DNM1 Q05193 1/20 0.36
TSHR P16473 3/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
DUSP3 P51452 1/20 0.33
AKR1B1 P15121 1/20 0.32
CYP1A2 P05177 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL394926 0.94 PAM (0.51) PAMDGKADNM1TSHRMAPT
SCHEMBL394865 0.81 ALDH1A1 (0.42) PAMTSHRLMNACYP3A4ALDH1A1
SCHEMBL394171 0.77 MMP1 (0.34) MEN1KMT2A
SCHEMBL394685 0.75 ALDH1A1 (0.44) TSHRMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL10099629 0.74 DGKA (0.62) PAMDGKADNM1TSHRMAPT
SCHEMBL28509740 0.72 AKR1B1 (0.38) TSHRMAPTMEN1KMT2ARECQL
SCHEMBL394383 0.71 ADRB2 (0.36) MAPTALDH1A1ATM
SCHEMBL5539605 0.70 DGKA (0.48) PAMDGKADNM1TSHRMAPT
SCHEMBL3834164 0.69 AKR1B1 (0.70) PAMDGKATSHRMAPTMEN1
SCHEMBL3098311 0.69 DGKA (0.53) PAMDGKADNM1TSHRMAPT

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 581/4885DGKA 3517/4885DNM1 1541/4885

“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.