SCHEMBL4542544

SCHEMBL4542544

CCCCCC(O)CNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.54
CTSL P07711 1/20 0.53
CTSS P25774 1/20 0.53
SIRT2 Q8IXJ6 8/20 0.52
SIRT1 Q96EB6 5/20 0.52
SIRT3 Q9NTG7 4/20 0.51
HTT P42858 1/20 0.50
SYK P43405 1/20 0.49

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
SCHEMBL14996273 0.96 CTSL (0.57) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL15109512 0.96 CTSL (0.57) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL19390721 0.91 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL133032 0.86 SIRT2 (0.53) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL13434967 0.86 SIRT2 (0.53) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL3902571 0.86 SIRT2 (0.53) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL5218083 0.85 SYK (0.57) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL8054994 0.85 SIRT2 (0.55) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL5019087 0.84 LMNA (0.61) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL29632318 0.84 SIRT2 (0.52) SMN1; SMN2NPC1RAB9ALMNACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632972-B2 Reacting an acid and an amine; apoptosis; carbamate, and N-phenethyl-2-phenylacetamide THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLIONIS (US) 2009-12-15 US disclosed
US-20050197511-A1 Compounds and methods for treatment of cancer and modulation of programmed cell death for melanoma and other cancer cells NATIONAL SCIENCE FOUNDATION 2005-09-08 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-20050197511-A1 Compounds and methods for treatment of cancer and modulation of programmed cell death for melanoma and other cancer cells BAD, MCL1, CASP3 SMN1; SMN2 2432/4885NPC1 4362/4885RAB9A 3765/4885

“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.