SCHEMBL395100

SCHEMBL395100

O=C(Cl)OCOC(=O)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GLA P06280 1/20 0.49
BRCA1 P38398 1/20 0.49
MAPT P10636 1/20 0.49
GSK3B P49841 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL6830087 0.80 NPC1 (0.58) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL1433300 0.78 NPC1 (0.60) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL7757826 0.77 NPC1 (0.58) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL422787 0.77 RAB9A (0.62) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL14382566 0.75 ALDH1A1 (0.63) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL14799462 0.75 NPC1 (0.71) NPC1RAB9ALMNAHPGDSMN1; SMN2
Methane SCHEMBL6835154 0.75 RAB9A (0.60) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL9250225 0.74 NPC1 (0.58) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL6379833 0.74 NPC1 (0.55) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL6379829 0.74 NPC1 (0.55) NPC1RAB9ALMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 3841/4885RAB9A 4/4885LMNA 2954/4885

“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.