SCHEMBL4252270

SCHEMBL4252270

COC(CNC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.49
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CASP1 P29466 1/20 0.46

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
SCHEMBL13569335 1.00 SMN1; SMN2 (0.52) SMN1; SMN2LMNACTSSCTSLHTT
SCHEMBL13570108 0.93 KLK1 (0.49) SMN1; SMN2LMNACTSSCTSLHTT
SCHEMBL4254215 0.93 KLK1 (0.49) SMN1; SMN2LMNACTSSCTSLHTT
SCHEMBL13569338 0.93 KLK1 (0.49) SMN1; SMN2LMNACTSSCTSLHTT
SCHEMBL13569340 0.92 LMNA (0.48) SMN1; SMN2LMNACTSSCTSLHTT
SCHEMBL13569337 0.92 LMNA (0.48) SMN1; SMN2LMNACTSSCTSLHTT
SCHEMBL4258226 0.91 CA1 (0.57) SMN1; SMN2LMNACTSSCTSLHTT
SCHEMBL13570167 0.91 CA1 (0.57) SMN1; SMN2LMNACTSSCTSLHTT
SCHEMBL13570187 0.88 CA1 (0.46) SMN1; SMN2LMNACTSSCTSLHTT
SCHEMBL4252255 0.88 CA1 (0.46) SMN1; SMN2LMNACTSSCTSLHTT

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 SMN1; SMN2 2432/4885LMNA 1958/4885CTSS 1549/4885

“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.