SCHEMBL25544003

SCHEMBL25544003

Cc1cc(-c2c(C(C)C)nc(Oc3ccc(C(=O)O)cc3C)c3cc(O)ccc23)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.35
HTR7 P34969 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MRGPRX4 Q96LA9 3/20 0.32
PTGFR P43088 1/20 0.32
EPRS1 P07814 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PPARG P37231 1/20 0.31
ESR1 P03372 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
CHEK2 O96017 1/20 0.31

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
SCHEMBL25548845 0.92 HTT (0.38) MPLLMNAMAPK1HTTRAB9A
SCHEMBL23896062 0.88 PPARG (0.42) PPARG
SCHEMBL23887889 0.83 CASR (0.37) MPLLMNAMAPK1PTGFRESR1
SCHEMBL23896305 0.82 THRA (0.39) RAB9ANR1H4ESR1
SCHEMBL23896306 0.81 FFAR1 (0.35) RARARARBRARG
SCHEMBL23887753 0.81 FFAR1 (0.36)
SCHEMBL23887876 0.80 ESR1 (0.35) MPLEPRS1ESR1
SCHEMBL23896098 0.78 ESR1 (0.32) MPLESR1
SCHEMBL23896312 0.78 CA12 (0.40) MPLPTGFRNR1H4
SCHEMBL25544493 0.78

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 MPL 1668/4885HTR7 155/4885LMNA 1470/4885

“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.