SCHEMBL395054

SCHEMBL395054

COc1ccc(C(=O)OCOC(=O)N(CC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
PDE4B Q07343 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL394356 0.87 KMT2A (0.37) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL394161 0.87 RAB9A (0.43) CA1CA2ESR2NPC1RAB9A
SCHEMBL393339 0.86 KMT2A (0.44) MAPTALDH1A1LMNAHSD17B10
SCHEMBL390172 0.86 ADRB2 (0.43) NPC1RAB9AMAPTSMN1; SMN2ADRB2
SCHEMBL395449 0.86 NPSR1 (0.43) CA1CA2NPC1RAB9AMAPT
SCHEMBL392988 0.85 KDM4E (0.46) RAB9AMAPTSMN1; SMN2ELANEALDH1A1
SCHEMBL390381 0.85 MAPK1 (0.41) NPC1RAB9AMAPTSMN1; SMN2ELANE
SCHEMBL395232 0.84 MAPT (0.44) ESR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL395808 0.84 CYP1A2 (0.38) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL393282 0.83 ADRB2 (0.43) RAB9AMAPTSMN1; SMN2ADRB2ADRB1

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 CA1 3111/4885CA2 1296/4885ESR2 2599/4885

“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.