SCHEMBL6089160

SCHEMBL6089160

COC(=O)C1CN(C(=O)OCc2ccccc2)CC(OC)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PDE4B Q07343 2/20 0.44
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
PARP1 P09874 1/20 0.42
CTSL P07711 1/20 0.41
HTR2C P28335 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL20149925 0.88 PDK1 (0.49) HTTSMN1; SMN2NPC1RAB9APDE4B
SCHEMBL6087581 0.83 HTT (0.43) HTTSMN1; SMN2NPC1RAB9APDE4B
SCHEMBL1300327 0.81 FKBP1A (0.47) HTTSMN1; SMN2NPC1RAB9ACTSL
SCHEMBL1300329 0.81 FKBP1A (0.47) HTTSMN1; SMN2NPC1RAB9ACTSL
SCHEMBL3605859 0.81 SMN1; SMN2 (0.50) HTTSMN1; SMN2NPC1RAB9APDE4B
SCHEMBL13681760 0.81 PARP1 (0.55) HTTSMN1; SMN2NPC1RAB9APDE4B
SCHEMBL2820733 0.81 PARP1 (0.55) HTTSMN1; SMN2NPC1RAB9APDE4B
SCHEMBL20129643 0.81 PARP1 (0.55) HTTSMN1; SMN2NPC1RAB9APDE4B
SCHEMBL12406846 0.80 PDE4B (0.51) HTTSMN1; SMN2NPC1RAB9APDE4B
SCHEMBL2044905 0.80 HTR2C (0.57) HTTSMN1; SMN2NPC1RAB9APDE4B

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-7138395-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US disclosed
EP-1511749-A1 NOVEL INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP disclosed
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US disclosed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO 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-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 HTT 3234/4885SMN1; SMN2 4567/4885NPC1 2149/4885

“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.