SCHEMBL393017

SCHEMBL393017

Cn1cccc1C(=O)OCOC(=O)N(CC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL393285 0.86 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL395208 0.81 ALDH1A1 (0.44) RAB9AALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL393102 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1HTTKMT2A
SCHEMBL392862 0.80 MAPT (0.43) RAB9AALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL395048 0.80 LMNA (0.45) ALDH1A1NFKB1MAPK1HTTKMT2A
SCHEMBL394986 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1HTTKMT2A
SCHEMBL393477 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1HTTKMT2A
SCHEMBL392222 0.80 ALDH1A1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL392819 0.80 MAPT (0.49) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL395726 0.80 KMT2A (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 3841/4885RAB9A 4/4885ALDH1A1 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.