SCHEMBL23898548

SCHEMBL23898548

O=C(O)[C@H]1CC[C@@H](c2c(C3CCOCC3)n(-c3ccc(F)c(F)c3)c3ccc(O)cc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
S1PR3 Q99500 2/20 0.36
MAOB P27338 1/20 0.33
MAOA P21397 1/20 0.33
PLA2G2A P14555 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
USP14 P54578 1/20 0.32
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
NOTUM Q6P988 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL23898480 1.00 TSHR (0.36) TSHRS1PR3MAOBMAOAPLA2G2A
SCHEMBL23898547 1.00 TSHR (0.36) TSHRS1PR3MAOBMAOAPLA2G2A
SCHEMBL23898408 0.93 TSHR (0.36) TSHRS1PR3MAOAPLA2G2AFFAR4
SCHEMBL23898411 0.93 TSHR (0.36) TSHRS1PR3MAOAPLA2G2AFFAR4
SCHEMBL23886775 0.92 GAA (0.34) TSHRS1PR3MAOBPLA2G2AFFAR4
SCHEMBL23898386 0.92 MALT1 (0.34) S1PR3PLA2G2AFFAR4CNR2CNR1
SCHEMBL23886774 0.92 GAA (0.34) TSHRS1PR3MAOBPLA2G2AFFAR4
SCHEMBL23898396 0.92 MALT1 (0.34) S1PR3PLA2G2AFFAR4CNR2CNR1
SCHEMBL23886802 0.92 GAA (0.34) TSHRS1PR3MAOBPLA2G2AFFAR4
SCHEMBL30176311 0.92 GAA (0.34) TSHRS1PR3MAOBPLA2G2AFFAR4

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 TSHR 1985/4885S1PR3 3903/4885MAOB 1879/4885

“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.