SCHEMBL22609331

SCHEMBL22609331

O=C(O)c1nnsc1Nc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.57
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
DHODH Q02127 1/20 0.42
CSNK2A1 P68400 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CDC7 O00311 1/20 0.40
DAPK3 O43293 1/20 0.40
PAK4 O96013 1/20 0.40
PIM1 P11309 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
SCHEMBL5147599 0.86 ILK (0.73) ILKALDH1A1MAPTHTTTP53
SCHEMBL5146269 0.85 ILK (0.77) ILKALDH1A1MAPTHTTCYP1A2
SCHEMBL22609262 0.84 ILK (0.57) ILKALDH1A1MAPTHTTCYP1A2
SCHEMBL22609328 0.79 ILK (0.77) ILKALDH1A1MAPTHTTHSD17B10
SCHEMBL23453715 0.77 ILK (0.50) ILKALDH1A1MAPTHTTTP53
SCHEMBL2826579 0.76 DHODH (0.47) DHODHCSNK2A1HDAC3HDAC1HDAC2
SCHEMBL22609326 0.74 ILK (0.56) ILKALDH1A1MAPTHTTCYP1A2
SCHEMBL5147602 0.73 ILK (1.00) ILKALDH1A1MAPTHTTHSD17B10
SCHEMBL2827045 0.73 GRM5 (0.51) ALDH1A1MAPTHTTTP53DHODH
SCHEMBL5146289 0.71 ILK (0.73) ILKALDH1A1MAPTHTTDHODH

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 ILK 3208/4885ALDH1A1 149/4885MAPT 2376/4885

“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.