SCHEMBL5666549

SCHEMBL5666549

Cc1cnc(C)c(O)c1C(O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNPO Q9NVS9 1/20 0.38
▸ ESR1 P03372 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PDXK O00764 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AOX1 Q06278 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ FDPS P14324 2/20 0.32
▸ TRIM24 O15164 1/20 0.32
▸ TRIM33 Q9UPN9 1/20 0.32
▸ PGK1 P00558 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
SCHEMBL27581870 0.81 KDM4E (0.50) PNPOESR1PTGS1ACP1PDE4A
SCHEMBL28558160 0.80 KDM4E (0.49) PNPOESR1PTGS1ACP1PDE4A
SCHEMBL5667259 0.77 PNPO (0.39) PNPOESR1PTGS1ACP1PDE4A
SCHEMBL4576456 0.72 ESR1 (0.52) PNPOESR1PTGS1ACP1PDE4A
SCHEMBL4577063 0.72 KDM4E (0.51) PNPOESR1PTGS1ACP1PDE4A
SCHEMBL6702230 0.70 LMNA (0.40) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL14944841 0.68 ADRB2 (0.32) KDM4EALDH1A1HPGDLMNAPDXK
SCHEMBL13971705 0.67 KDM4E (0.35) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL14948150 0.67 — —
SCHEMBL9656230 0.66 KDM4E (0.45) PNPOESR1PTGS1ACP1PDE4A

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-20060241083-A1 Novel heteroaryl phosphonates as cardioprotective agents MEDICURE INTERNATIONAL INC. (IN) 2006-10-26 — — US disclosed
US-20040186077-A1 Novel heteroaryl phosphonates as cardioprotective agents MEDICURE INTERNATIONAL INC. (BB) 2004-09-23 — — 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 (2 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-20040186077-A1 Novel heteroaryl phosphonates as cardioprotective agents TNNT2, TNNI3, ADRB3 PNPO 937/4885ESR1 2144/4885PTGS1 315/4885
US-20060241083-A1 Novel heteroaryl phosphonates as cardioprotective agents TNNI3, TNNT2, FABP3 PNPO 1107/4885ESR1 4074/4885PTGS1 819/4885

“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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