Sugi Predict

Sugi Predict / Compounds / SCHEMBL23896147

SCHEMBL23896147

SCHEMBL23896147

CC(C)c1nc(O[C@@H](C)C(=O)O)c2cc(O)ccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ ALDH2 P05091 1/20 0.37
▸ MCL1 Q07820 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ ESRRB O95718 1/20 0.34
▸ ESRRA P11474 1/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL23896286 0.89 GCGR (0.40) ALDH2MCL1ESR1ESR2
SCHEMBL23896095 0.89 GCGR (0.40) ALDH2MCL1ESR1ESR2
SCHEMBL23896283 0.89 GCGR (0.40) ALDH2MCL1ESR1ESR2
SCHEMBL25545601 0.80 ESRRB (0.37) FABP3FABP4FABP5ESR1ESR2
SCHEMBL23896146 0.80 ESRRB (0.37) FABP3FABP4FABP5ESR1ESR2
SCHEMBL25544688 0.77 ESR1 (0.38) ALDH2MCL1ESR1ESR2CYP1A2
SCHEMBL25196140 0.74 MCL1 (0.37) ALDH2MCL1ESR1ESR2ESRRB
SCHEMBL23887738 0.74 MCL1 (0.37) ALDH2MCL1ESR1ESR2ESRRB
SCHEMBL23896016 0.74 ESR1 (0.39) ALDH2MCL1ESR1ESR2
SCHEMBL23895992 0.73 GCGR (0.42) FABP4ESR1

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-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
WO-2021203028-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 (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-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 FABP3 2832/4885FABP4 4467/4885FABP5 3348/4885

“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.