SCHEMBL23898502

SCHEMBL23898502

O=C(O)C1CCC(c2c(C3CCOCC3)n(-c3ccccc3)c3ccc(O)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLA2G2A P14555 1/20 0.39
MEN1 O00255 2/20 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
SCHEMBL23898509 0.91 NOTUM (0.37) GAAGFERTSHRNPSR1HPGD
SCHEMBL26651323 0.88 GAA (0.41) GAAGFERTSHRNPSR1HPGD
SCHEMBL23898480 0.87 TSHR (0.36) GAAGFERTSHRNPSR1PLA2G2A
SCHEMBL23898547 0.87 TSHR (0.36) GAAGFERTSHRNPSR1PLA2G2A
SCHEMBL23898548 0.87 TSHR (0.36) GAAGFERTSHRNPSR1PLA2G2A
SCHEMBL23898386 0.85 MALT1 (0.34) GAAKDM4EMAPTPLA2G2AMEN1
SCHEMBL23886802 0.85 GAA (0.34) GAAGFERTSHRNPSR1HPGD
SCHEMBL23886775 0.85 GAA (0.34) GAAGFERTSHRNPSR1HPGD
SCHEMBL23898396 0.85 MALT1 (0.34) GAAKDM4EMAPTPLA2G2AMEN1
SCHEMBL23886774 0.85 GAA (0.34) GAAGFERTSHRNPSR1HPGD

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-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
WO-2021203007-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO 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-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 GAA 139/4885GFER 2801/4885TSHR 1985/4885

“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.