SCHEMBL16276337

SCHEMBL16276337

CC(C)(C)O[C@H]1CC[C@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
LMNA P02545 2/20 0.37
ACE P12821 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
GRM2 Q14416 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRR1 P24046 1/20 0.33
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APLNR P35414 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL8970350 1.00 BTK (0.44) BTKLMNAACEAKR1C3AKR1C1
SCHEMBL25490288 0.88 LMNA (0.39) BTKLMNAKMT2APLGPLAT
SCHEMBL25474802 0.88 LMNA (0.39) BTKLMNAKMT2APLGPLAT
SCHEMBL9680450 0.88 LMNA (0.39) BTKLMNAKMT2APLGPLAT
SCHEMBL11919497 0.85 BTK (0.40) BTKLMNAGRM2GABRR1HSD17B10
SCHEMBL25543663 0.80
SCHEMBL25474801 0.80
SCHEMBL1072140 0.77 ACE (0.39) BTKLMNAACEAKR1C3AKR1C1
SCHEMBL12065403 0.77 ACE (0.39) BTKLMNAACEAKR1C3AKR1C1
SCHEMBL25527233 0.77 ACE (0.39) BTKLMNAACEAKR1C3AKR1C1

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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20140356322-A1 Compounds & Methods for the Enhanced Degradation of Targeted Proteins & Other Polypeptides by an E3 Ubiquitin Ligase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-12-04 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-20140356322-A1 Compounds & Methods for the Enhanced Degradation of Targeted Proteins & Other Polypeptides by an E3 Ubiquitin Ligase VHL, MDM2, STUB1 BTK 2907/4885LMNA 2962/4885ACE 1300/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 BTK 4495/4885LMNA 2098/4885ACE 84/4885

“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.