SCHEMBL19355186

SCHEMBL19355186

CC(C)COC(=O)NCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 5/20 0.37
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL19343052 0.85 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL19355185 0.85 CYP2D6 (0.42) SMN1; SMN2LMNAKDM4EHSD17B10DUSP3
SCHEMBL12116102 0.82 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL21674072 0.82 CHRNB2 (0.44) SMN1; SMN2LMNAALDH1A1MAPK1KDM4E
SCHEMBL4611409 0.82 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL19656717 0.82 TSHR (0.38) SMN1; SMN2LMNATSHRKDM4EDUSP3
SCHEMBL19355183 0.81 GAA (0.43) SMN1; SMN2LMNAALDH1A1TSHRKDM4E
Ammonia Solution, Strong SCHEMBL9998724 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL19656636 0.80 ADRB2 (0.36)
SCHEMBL17793976 0.78 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKDM4EDUSP3MEN1

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-10251845-B2 Fatty acid cysteamine conjugates and their use as activators of autophagy CATABASIS PHARMACEUTICALS, INC. (US) 2019-04-09 US disclosed
US-20170258741-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY CATABASIS PHARMACEUTICALS, INC. (US) 2017-09-14 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 (2 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-20170258741-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY NDUFAB1, ATG7, HADHA SMN1; SMN2 229/4885LMNA 2779/4885ALDH1A1 1342/4885
US-10251845-B2 Fatty acid cysteamine conjugates and their use as activators of autophagy NDUFAB1, ATG7, NLN SMN1; SMN2 237/4885LMNA 2734/4885ALDH1A1 1672/4885

“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.