SCHEMBL25545398

SCHEMBL25545398

C[C@H](Oc1nc(C(C)(C)CO)c(-c2ccc(F)cc2)c2ccc(O)c(F)c12)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.35
GCGR P47871 3/20 0.32
MME P08473 2/20 0.32
ACE P12821 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL25188630 0.84 ALDH2 (0.36) MCL1GCGRPPARGPPARAPLG
SCHEMBL23896290 0.84 ALDH2 (0.36) MCL1GCGRPPARGPPARAPLG
SCHEMBL25265198 0.82 GCGR (0.38) MCL1GCGRPPARGPPARACYP1A2
SCHEMBL30121089 0.82 GCGR (0.38) MCL1GCGRPPARGPPARACYP1A2
SCHEMBL23896331 0.82 GCGR (0.38) MCL1GCGRPPARGPPARACYP1A2
SCHEMBL23887748 0.82 GCGR (0.38) MCL1GCGRPPARGPPARACYP1A2
SCHEMBL23887774 0.75 GCGR (0.34) MCL1GCGRPPARGPPARAPLG
SCHEMBL30121050 0.75 GCGR (0.34) MCL1GCGRPPARGPPARAPLG
SCHEMBL23887771 0.75 GCGR (0.34) MCL1GCGRPPARGPPARAPLG
SCHEMBL23896334 0.73 GCGR (0.35) GCGR

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-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
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 MCL1 2407/4885GCGR 4357/4885MME 568/4885

“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.