SCHEMBL6317954

SCHEMBL6317954

Cc1ccc(NCC(c2ccc3c(c2)CC(=O)N3)P2(=O)O[C@@H](C)[C@@H](C)O2)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
PTK2 Q05397 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
GRIA1 P42261 3/20 0.31
CACNG8 Q8WXS5 2/20 0.31
OPRD1 P41143 1/20 0.31
CDC7 O00311 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
AHR P35869 1/20 0.31
SMYD3 Q9H7B4 3/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL6320199 0.88 PKM (0.31) PKMMAPKAPK2PDE3BPDE3A
SCHEMBL6325709 0.78 PTK2 (0.37) PTK2OPRD1CDC7CCNE1CDK2
SCHEMBL6319582 0.76 LMNA (0.31)
SCHEMBL6325622 0.75 EPHX2 (0.34) PKMPTK2MAPKAPK2GRIA1CACNG8
SCHEMBL6325348 0.74 GRIA1 (0.32) PKMPTK2MAPKAPK2GRIA1CACNG8
SCHEMBL6323006 0.72 PDE3B (0.33) PTK2MAPKAPK2GRIA1CACNG8OPRD1
SCHEMBL6319203 0.69 GRIA1 (0.34) PTK2MAPKAPK2GRIA1CACNG8CDC7
SCHEMBL6318789 0.69 MAP3K11 (0.35) MAPKAPK2GRIA1CACNG8OPRD1PDE3B
SCHEMBL6268096 0.68 GRIA1 (0.33) MAPKAPK2GRIA1CACNG8CDC7CCNE1
SCHEMBL6256396 0.68 EPHX2 (0.32) MAPKAPK2GRIA1CACNG8OPRD1SMYD3

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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US claimed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL PKM 1878/4885PTK2 1567/4885MAPKAPK2 4227/4885

“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.