SCHEMBL4252255

SCHEMBL4252255

COC(CNC(=O)OCc1ccccc1)c1ccc(OC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
MAPT P10636 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
GAA P10253 1/20 0.43
SYK P43405 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL13570187 1.00 CA1 (0.46) CA1CA2ACHEMAPTATM
SCHEMBL4252257 1.00 CA1 (0.46) CA1CA2ACHEMAPTATM
SCHEMBL4258226 0.89 CA1 (0.57) CA1CA2ACHEMAPTATM
SCHEMBL13570167 0.89 CA1 (0.57) CA1CA2ACHEMAPTATM
SCHEMBL13569335 0.88 SMN1; SMN2 (0.52) ATML3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4252270 0.88 SMN1; SMN2 (0.52) ATML3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL13569338 0.87 KLK1 (0.49) CA1CA2ACHEMAPTL3MBTL1
SCHEMBL13570108 0.87 KLK1 (0.49) CA1CA2ACHEMAPTL3MBTL1
SCHEMBL4254215 0.87 KLK1 (0.49) CA1CA2ACHEMAPTL3MBTL1
SCHEMBL13569327 0.86 SMN1; SMN2 (0.51) CA1CA2ACHEMAPTATM

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-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-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
WO-2005044191-A2 COMPOUNDS AND METHODS FOR TREATMENT OF CANCER AND MODULATION OF PROGRAMMED CELL DEATH FOR MELANOMA AND OTHER CANCER CELLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-05-19 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-20050197511-A1 Compounds and methods for treatment of cancer and modulation of programmed cell death for melanoma and other cancer cells BAD, MCL1, CASP3 CA1 1412/4885CA2 3900/4885ACHE 4312/4885

“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.