SCHEMBL392988

SCHEMBL392988

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
SLC1A5 Q15758 1/20 0.43
ALDH1A1 P00352 5/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
USP2 O75604 1/20 0.41
ELANE P08246 1/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AGTR1 P30556 1/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A9 P48067 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
SCHEMBL390381 0.90 MAPK1 (0.41) ALDH1A1ELANEMAPTSMN1; SMN2RAB9A
SCHEMBL394161 0.87 RAB9A (0.43) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL392819 0.86 MAPT (0.49) KDM4ESLC1A5ALDH1A1ELANEMAPT
SCHEMBL390172 0.86 ADRB2 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL395449 0.86 NPSR1 (0.43) ALDH1A1MAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL395054 0.85 CA1 (0.43) ALDH1A1ELANEMAPTSMN1; SMN2RAB9A
SCHEMBL394359 0.84 HRH3 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL395808 0.84 CYP1A2 (0.38) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL393282 0.83 ADRB2 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2AGTR1
SCHEMBL392885 0.82 SCN1A (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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 KDM4E 1240/4885SLC1A5 64/4885ALDH1A1 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.