SCHEMBL21061998

SCHEMBL21061998

C[C@]1(O)C[C@@H](NC(=O)c2cnc3cc(Br)sc3c2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 14/20 0.55
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 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
SCHEMBL21061999 1.00 HPGDS (0.55) HPGDSHDAC6POLBALDH1A1LMNA
SCHEMBL23350301 0.85 HPGDS (0.63) HPGDSALDH1A1LMNAHPGD
SCHEMBL21096529 0.83 HPGDS (0.42) HPGDSHDAC6ALDH1A1LMNAHPGD
SCHEMBL21061898 0.79 HPGDS (0.63) HPGDS
SCHEMBL21061897 0.79 HPGDS (0.63) HPGDS
SCHEMBL21061852 0.72 PIK3CA (0.44) HDAC6ALDH1A1LMNAKDM4EGAA
SCHEMBL21853644 0.71 HPGDS (1.00) HPGDS
SCHEMBL20589230 0.71 HPGDS (1.00) HPGDS
SCHEMBL21945761 0.71 HPGDS (1.00) HPGDS
SCHEMBL21061909 0.71 MGAM (0.45) HDAC6POLBALDH1A1LMNAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
US-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
EP-3724197-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-10-21 EP disclosed
WO-2019116256-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 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-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS HPGDS, HPGD, PTGS1 HPGDS 1/4885HDAC6 2109/4885POLB 1662/4885

“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.