SCHEMBL25544503

SCHEMBL25544503

Cc1ccc2c(-c3ccc(F)c(C)c3)c(C(C)C)[n+]([O-])cc2c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.36
PTGS1 P23219 3/20 0.35

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
SCHEMBL25544279 0.84 GRM2 (0.33) PTGS2
SCHEMBL23887856 0.79 NPC1 (0.40)
SCHEMBL30121011 0.79 NPC1 (0.40)
SCHEMBL25544825 0.76 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL25544553 0.74 TSHR (0.33) PTGS2PTGS1
SCHEMBL25544542 0.72 GCGR (0.36)
SCHEMBL25544280 0.72 CYP1A2 (0.35)
SCHEMBL25544353 0.69 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL25544215 0.67 GCGR (0.34) PTGS2
SCHEMBL25544406 0.67 PTGS2 (0.34) PTGS2PTGS1

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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 PTGS2 1486/4885PTGS1 617/4885

“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.