SCHEMBL22609227

SCHEMBL22609227

CCOC(=O)c1noc(C)c1SCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ TARBP2 Q15633 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ MLYCD O95822 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CACNA1F O60840 1/20 0.41
▸ CACNA1D Q01668 1/20 0.41
▸ CACNA1S Q13698 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ TP53 P04637 1/20 0.40

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
SCHEMBL22609214 0.85 PPARG (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL994810 0.76 HTT (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL23596007 0.72 TSHR (0.50) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL22609351 0.72 RAB9A (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL22609330 0.71 MAPT (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL12416482 0.70 ALDH1A1 (0.48) ALDH1A1TARBP2HTTMLYCDCACNA1F
SCHEMBL4059370 0.69 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL23596005 0.69 TDP1 (0.47) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL768773 0.69 TARBP2 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL11558341 0.69 L3MBTL1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR

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 2 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
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 149/4885RAB9A 3361/4885SMN1; SMN2 4815/4885

“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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