SCHEMBL23898403

SCHEMBL23898403

O=C(O)[C@H]1C[C@@H](c2c(C3CCOCC3)n(-c3ccc(F)c(Cl)c3)c3ccc(O)cc32)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
S1PR3 Q99500 1/20 0.33
UGCG Q16739 1/20 0.32
RAD51 Q06609 1/20 0.32
PLA2G2A P14555 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
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL23898400 1.00 MALT1 (0.34) MALT1KDM4ES1PR3UGCGRAD51
SCHEMBL23898386 0.93 MALT1 (0.34) MALT1KDM4ES1PR3UGCGRAD51
SCHEMBL23898396 0.93 MALT1 (0.34) MALT1KDM4ES1PR3UGCGRAD51
SCHEMBL23898408 0.92 TSHR (0.36) S1PR3PLA2G2ANOTUMCNR2CNR1
SCHEMBL23898411 0.92 TSHR (0.36) S1PR3PLA2G2ANOTUMCNR2CNR1
SCHEMBL26651249 0.90 KDM4E (0.33) MALT1KDM4ES1PR3UGCGRAD51
SCHEMBL26653529 0.90 KDM4E (0.33) MALT1KDM4ES1PR3UGCGRAD51
SCHEMBL23898381 0.89 GAA (0.34) KDM4ES1PR3NOTUMMAPTPDE4B
SCHEMBL23898382 0.89 GAA (0.34) KDM4ES1PR3NOTUMMAPTPDE4B
SCHEMBL23898484 0.88 NOTUM (0.37) KDM4EPLA2G2ANOTUMMAPTCNR2

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 3 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
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.