SCHEMBL23486308

SCHEMBL23486308

Cc1snc(COCO)c1Nc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 2/20 0.37
▸ MAPKAPK2 P49137 2/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ GSK3B P49841 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABCG2 Q9UNQ0 3/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ ABCC1 P33527 2/20 0.33
▸ TTK P33981 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ GHSR Q92847 1/20 0.32

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
SCHEMBL23486582 0.80 DHODH (0.38) VCPMAPKAPK2DHODHGSK3BMMP3
SCHEMBL23453725 0.74 KDM4E (0.43) DHODHGSK3B
SCHEMBL23453756 0.74 CSF1R (0.40) VCPMAPKAPK2DHODHGSK3BCYP2C9
SCHEMBL22609261 0.70 KDM4E (0.46) DHODHGSK3BMEN1KMT2A
SCHEMBL22609280 0.69 GSK3A (0.42) VCPDHODHGSK3BCSF1RGAA
SCHEMBL23453734 0.67 SYK (0.43) CSF1RABCG2ABCB1ABCC1
SCHEMBL25546850 0.64 MMP3 (0.56) VCPMAPKAPK2DHODHGSK3BMMP3
SCHEMBL22609264 0.60 RXFP1 (0.43) DHODHGSK3BCYP2C9CYP2C19MEN1
SCHEMBL21915358 0.60 CTSK (0.54) VCPDHODHGSK3BMMP3CYP2C9
SCHEMBL23453717 0.60 DHODH (0.41) MAPKAPK2DHODHGSK3BCYP2C9CYP2C19

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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — 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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS VCP 3734/4885MAPKAPK2 1986/4885DHODH 123/4885

“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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