SCHEMBL23898396

SCHEMBL23898396

O=C(O)C1CCC(c2c(C3CCOCC3)n(-c3ccc(F)c(Cl)c3)c3ccc(O)cc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
S1PR3 Q99500 1/20 0.33
PLA2G2A P14555 1/20 0.33
UGCG Q16739 1/20 0.32
RAD51 Q06609 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
NOTUM Q6P988 2/20 0.31
MAPT P10636 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL23898386 1.00 MALT1 (0.34) MALT1KDM4ES1PR3PLA2G2AUGCG
SCHEMBL23898400 0.93 MALT1 (0.34) MALT1KDM4ES1PR3PLA2G2AUGCG
SCHEMBL23898403 0.93 MALT1 (0.34) MALT1KDM4ES1PR3PLA2G2AUGCG
SCHEMBL23898548 0.92 TSHR (0.36) S1PR3PLA2G2AFFAR4NOTUMCNR1
SCHEMBL23898480 0.92 TSHR (0.36) S1PR3PLA2G2AFFAR4NOTUMCNR1
SCHEMBL23898547 0.92 TSHR (0.36) S1PR3PLA2G2AFFAR4NOTUMCNR1
SCHEMBL26653529 0.90 KDM4E (0.33) MALT1KDM4ES1PR3UGCGRAD51
SCHEMBL26651249 0.90 KDM4E (0.33) MALT1KDM4ES1PR3UGCGRAD51
SCHEMBL23886774 0.89 GAA (0.34) KDM4ES1PR3PLA2G2AFFAR4MAPT
SCHEMBL23886802 0.89 GAA (0.34) KDM4ES1PR3PLA2G2AFFAR4MAPT

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 MALT1 4102/4885KDM4E 4795/4885S1PR3 3903/4885

“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.