SCHEMBL25490288

SCHEMBL25490288

CC(C)(C)O[C@H]1CC[C@@H](C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
BTK Q06187 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38

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
SCHEMBL25474802 1.00 LMNA (0.39) LMNAPLGPLATBTKGABRP
SCHEMBL9680450 1.00 LMNA (0.39) LMNAPLGPLATBTKGABRP
SCHEMBL16276337 0.88 BTK (0.44) LMNAPLGPLATBTKGABRP
SCHEMBL8970350 0.88 BTK (0.44) LMNAPLGPLATBTKGABRP
SCHEMBL1951573 0.83 LMNA (0.37) LMNAPLGPLATBTKGABRP
SCHEMBL19935466 0.83 EPHX2 (0.31)
SCHEMBL25474797 0.83 EPHX2 (0.31)
SCHEMBL19929911 0.81
SCHEMBL19935171 0.81
SCHEMBL11919497 0.80 BTK (0.40) LMNABTKGABRPGABRDGABRA1

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 1 patent. 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

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-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 LMNA 2098/4885PLG 186/4885PLAT 136/4885

“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.