SCHEMBL393528

SCHEMBL393528

CC(=O)Nc1ccc(C(=O)OCOC(=O)N(CC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
PKM P14618 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 6/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 5/20 0.44
POLB P06746 3/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 2/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL394304 0.85 KMT2A (0.49) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL394161 0.84 RAB9A (0.43) MAPK1KMT2AMAPTMEN1RAB9A
SCHEMBL390172 0.83 ADRB2 (0.43) HPGDMAPK1KMT2AMAPTMEN1
SCHEMBL395449 0.83 NPSR1 (0.43) RECQLMAPK1HSD17B10MAPTNPSR1
SCHEMBL395054 0.81 CA1 (0.43) RECQLMAPK1HSD17B10MAPTRAB9A
SCHEMBL392988 0.81 KDM4E (0.46) HPGDMAPK1KMT2AMAPTMEN1
SCHEMBL390381 0.81 MAPK1 (0.41) HPGDMAPK1KMT2AMAPTRAB9A
SCHEMBL395808 0.81 CYP1A2 (0.38) KMT2AMAPTMEN1KDM4ERAB9A
SCHEMBL393282 0.80 ADRB2 (0.43) MAPK1HSD17B10KMT2AMAPTKDM4E
SCHEMBL393339 0.79 KMT2A (0.44) HSD17B10KMT2AMAPTKDM4ENPSR1

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 HPGD 4764/4885RECQL 942/4885PKM 4697/4885

“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.