SCHEMBL4241732

SCHEMBL4241732

COC(=O)CC(=O)NC(CC1CCCCC1)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
CNR2 P34972 2/20 0.40
CTSK P43235 7/20 0.40
CTSS P25774 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRM1 Q13255 1/20 0.39
CTSL P07711 4/20 0.38
CTSB P07858 4/20 0.38
PADI1 Q9ULC6 1/20 0.38
PADI4 Q9UM07 1/20 0.38
CTSH P09668 2/20 0.37
LTA4H P09960 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KLKB1 P03952 1/20 0.36

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
SCHEMBL28563624 0.88 GRN (0.40) GRNSORT1CNR2CTSKCTSS
Hydrochloric Acid SCHEMBL15543180 0.84 CHRNB2 (0.43) GRNSORT1CTSKCTSSCHRNB2
Hydrochloric Acid SCHEMBL15543179 0.84 CHRNB2 (0.43) GRNSORT1CTSKCTSSCHRNB2
SCHEMBL23052492 0.83 REN (0.44) GRNSORT1CNR2CTSKCTSS
SCHEMBL25523633 0.83 CTSK (0.45) GRNSORT1CNR2CTSKCTSS
SCHEMBL26985789 0.82 CHRNB2 (0.45) GRNSORT1CTSKCTSSCHRNB2
SCHEMBL27136207 0.82 CHRNB2 (0.45) GRNSORT1CTSKCTSSCHRNB2
SCHEMBL28563558 0.81 CHRNB2 (0.39) GRNSORT1CNR2CTSKCTSS
SCHEMBL4114002 0.79 GRN (0.36) GRNSORT1CNR2CTSKCTSS
SCHEMBL16684111 0.79 CTSK (0.44) GRNSORT1CTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402436-B Tertiary amino acid derivative, preparation method and application thereof 安徽农业大学 2024-07-12 CN disclosed
CN-113402436-A Trolamine derivatives, preparation method and application thereof 安徽农业大学 2021-09-17 CN disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 GRN 2123/4885SORT1 3154/4885CNR2 3463/4885

“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.