SCHEMBL30450099

SCHEMBL30450099

CC(C)(C)OC(=O)Nc1ncccc1CCCO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.42
NAMPT P43490 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP17A1 P05093 2/20 0.39
ATR Q13535 1/20 0.39
RAB9A P51151 1/20 0.36
NQO2 P16083 1/20 0.36
CYP3A4 P08684 1/20 0.36
BRD4 O60885 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MME P08473 1/20 0.35
DRD2 P14416 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLS O94925 1/20 0.35
SLC13A5 Q86YT5 1/20 0.35

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
SCHEMBL7382660 1.00 METAP1 (0.42) METAP1NAMPTTDP1CYP17A1ATR
SCHEMBL2695265 0.90 METAP1 (0.42) METAP1NAMPTCYP17A1ATRMME
SCHEMBL27703346 0.88 METAP1 (0.44) METAP1NAMPTCYP17A1ATRRAB9A
SCHEMBL2693327 0.87 METAP1 (0.43) METAP1NAMPTCYP17A1ATRRAB9A
SCHEMBL2696598 0.86 GRM5 (0.46) METAP1NAMPTCYP17A1ATRRAB9A
SCHEMBL69347 0.86 METAP1 (0.45) METAP1NAMPTCYP17A1ATRRAB9A
SCHEMBL29919808 0.86 METAP1 (0.45) METAP1NAMPTCYP17A1ATRRAB9A
SCHEMBL8609349 0.84 METAP1 (0.42) METAP1NAMPTCYP17A1ATRRAB9A
SCHEMBL29039959 0.83 METAP1 (0.44) METAP1NAMPTTDP1CYP17A1ATR
SCHEMBL7410153 0.83 METAP1 (0.41) METAP1NAMPTCYP17A1ATRRAB9A

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-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 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 (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-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL METAP1 446/4885NAMPT 557/4885TDP1 4771/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL METAP1 446/4885NAMPT 557/4885TDP1 4771/4885

“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.