SCHEMBL22609213

SCHEMBL22609213

Cc1onc(C(=O)O)c1Nc1ccc(C#Cc2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ CYP1A2 P05177 5/20 0.38
▸ CYP2C19 P33261 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ EGLN1 Q9GZT9 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ EGLN3 Q9H6Z9 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CLK4 Q9HAZ1 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
SCHEMBL22609248 0.88 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL22609257 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL22609283 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL22609268 0.83 DHODH (0.43) ALDH1A1SMN1; SMN2LMNAHSD17B10ALOX15
SCHEMBL23453717 0.80 DHODH (0.41) ALDH1A1CYP2C19CYP2C9HSD17B10ALOX15
SCHEMBL23486578 0.79 PTGS2 (0.39) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL23453731 0.79 RAPGEF4 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL22609336 0.77 POLB (0.48) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL22609335 0.73 HTT (0.45) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL22609253 0.73 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2HTTKDM4E

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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — US disclosed
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — US disclosed
EP-3731840-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF Orfan Biotech Inc. (US) 2020-11-04 — — EP 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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS ALDH1A1 149/4885CYP1A2 99/4885CYP2C19 59/4885

“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.

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