SCHEMBL23453702

SCHEMBL23453702

Cc1onc(C(=O)O)c1NCc1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 4/20 0.46
▸ PTGER4 P35408 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CACNA1B Q00975 6/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ASPH Q12797 1/20 0.42
▸ KDM8 Q8N371 1/20 0.42
▸ CACNA1H O95180 1/20 0.41
▸ CACNA1G O43497 1/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IL18 Q14116 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
SCHEMBL22609336 0.83 POLB (0.48) PTGER4LMNAKDM4ESCN9AMEN1
SCHEMBL23486613 0.79 SMN1; SMN2 (0.40) VNN1PTGER4LMNAHTTSMN1; SMN2
SCHEMBL23453755 0.78 PTGER4 (0.43) PTGER4LMNASMN1; SMN2CACNA1BKDM4E
SCHEMBL22609253 0.78 ALDH1A1 (0.52) HTTSMN1; SMN2KDM4EASPHKDM8
SCHEMBL22609268 0.75 DHODH (0.43) LMNAHTTSMN1; SMN2KDM4EPOLB
SCHEMBL23453717 0.72 DHODH (0.41) PTGER4POLBPKM
SCHEMBL23453716 0.70 PTGER4 (0.45) PTGER4SMN1; SMN2MAPK1
SCHEMBL22609276 0.69 ALDH1A1 (0.53) VNN1HTTSMN1; SMN2POLBMAPT
SCHEMBL23453703 0.67 ALDH1A1 (0.47) PTGER4POLB
SCHEMBL20511088 0.67 GAA (0.49) VNN1LMNAMEN1POLBKMT2A

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
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 VNN1 1697/4885PTGER4 1108/4885LMNA 3881/4885

“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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