SCHEMBL23895992

SCHEMBL23895992

CC(C)c1nc(OCC(=O)O)c2cc(O)ccc2c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.42
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 2/20 0.38
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
DPP4 P27487 1/20 0.37
POLB P06746 1/20 0.37
FABP4 P15090 2/20 0.36

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
SCHEMBL23896281 0.88 GCGR (0.39) GCGRMEN1MAPTKMT2APOLB
SCHEMBL23887753 0.88 FFAR1 (0.36) GCGRFFAR1PPARD
SCHEMBL23896286 0.84 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL23896283 0.84 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL23896095 0.84 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL23896049 0.83 GCGR (0.45) GCGRESR1
SCHEMBL23896330 0.83 FFAR1 (0.41) FFAR1PPARDALDH1A1MEN1MAPT
SCHEMBL23896096 0.82 GCGR (0.39) GCGRPPARDESR1HMGCRCHRM1
SCHEMBL23896293 0.81 GCGR (0.44) GCGRESR1
SCHEMBL23896044 0.81 GCGR (0.44) GCGRESR1

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 GCGR 4357/4885FFAR1 4592/4885PPARD 2070/4885

“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.