Sugi Predict

Sugi Predict / Compounds / SCHEMBL23905527

SCHEMBL23905527

SCHEMBL23905527

COc1ccc(-c2c(C(C)C)c(O[C@H]3C[C@H](C(=O)O)C3)nc3cc4[nH]ncc4cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ROCK1 Q13464 3/20 0.34
▸ ESRRB O95718 1/20 0.34
▸ ESRRA P11474 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EP300 Q09472 2/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ SGK1 O00141 1/20 0.32

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
SCHEMBL23884394 1.00 NPC1 (0.36) NPC1RAB9AROCK1ESRRBESRRA
SCHEMBL23905516 1.00 NPC1 (0.36) NPC1RAB9AROCK1ESRRBESRRA
SCHEMBL23905561 0.91 MAPK1 (0.34) NPC1RAB9AROCK1ROCK2DGAT1
SCHEMBL30251784 0.91 MAPK1 (0.34) NPC1RAB9AROCK1ROCK2DGAT1
SCHEMBL23884576 0.91 MAPK1 (0.34) NPC1RAB9AROCK1ROCK2DGAT1
SCHEMBL23905564 0.91 MAPK1 (0.34) NPC1RAB9AROCK1ROCK2DGAT1
SCHEMBL23884439 0.77 MAPK1 (0.38) NPC1RAB9AROCK1ROCK2MAP4K1
SCHEMBL30251803 0.77 MAPK1 (0.38) NPC1RAB9AROCK1ROCK2MAP4K1
SCHEMBL23884521 0.76 GRIA1 (0.38) KCNH2MAPK1
SCHEMBL30251737 0.76 GRIA1 (0.38) KCNH2MAPK1

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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 NPC1 518/4885RAB9A 2260/4885ROCK1 1434/4885

“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.