SCHEMBL393282

SCHEMBL393282

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 5/20 0.39
TSHR P16473 3/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AGTR1 P30556 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL394161 0.85 RAB9A (0.43) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL393373 0.85 LMNA (0.49) L3MBTL1KDM4EKMT2ALMNAALDH1A1
SCHEMBL395808 0.85 CYP1A2 (0.38) KDM4ERAB9AKMT2ALMNAALDH1A1
SCHEMBL395449 0.84 NPSR1 (0.43) L3MBTL1RAB9ALMNAALDH1A1MAPK1
SCHEMBL390172 0.84 ADRB2 (0.43) ADRB2ADRB1ADRB3KDM4ERAB9A
SCHEMBL393109 0.84 KMT2A (0.44) ADRB2ADRB1ADRB3L3MBTL1KDM4E
SCHEMBL390381 0.83 MAPK1 (0.41) ADRB2ADRB1ADRB3TSHRRAB9A
SCHEMBL395054 0.83 CA1 (0.43) ADRB2ADRB1ADRB3RAB9ALMNA
SCHEMBL392988 0.83 KDM4E (0.46) L3MBTL1KDM4ERAB9AKMT2AALDH1A1
SCHEMBL393528 0.80 HPGD (0.48) ADRB2ADRB1ADRB3L3MBTL1KDM4E

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 ADRB2 1931/4885ADRB1 2179/4885ADRB3 2301/4885

“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.