SCHEMBL6325348

SCHEMBL6325348

Cc1c[nH]c(NCC(c2ccc3c(c2)CC(=O)N3)P2(=O)OCC(C)(C)CO2)n1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.32
MAP3K11 Q16584 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CACNG8 Q8WXS5 2/20 0.31
PKM P14618 1/20 0.31
CDC7 O00311 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
PTK2 Q05397 1/20 0.30
AHR P35869 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
SCHEMBL6325622 0.86 EPHX2 (0.34) GRIA1SMYD3MAPKAPK2CYP1A2CYP3A4
SCHEMBL6268096 0.83 GRIA1 (0.33) GRIA1MAPKAPK2CACNG8CDC7CCNE1
SCHEMBL6323006 0.82 PDE3B (0.33) GRIA1SMYD3MAPKAPK2CYP1A2CACNG8
SCHEMBL6318789 0.82 MAP3K11 (0.35) GRIA1MAP3K11MAPKAPK2GAACACNG8
SCHEMBL6256396 0.78 EPHX2 (0.32) GRIA1SMYD3MAPKAPK2CACNG8
SCHEMBL6317954 0.74 PKM (0.33) GRIA1SMYD3MAPKAPK2CACNG8PKM
SCHEMBL6264762 0.73
SCHEMBL6319203 0.70 GRIA1 (0.34) GRIA1MAPKAPK2CACNG8CDC7CCNE1
SCHEMBL6320852 0.68 TDP2 (0.37) GRIA1CDC7CCNE1CDK2DBF4
SCHEMBL6320199 0.68 PKM (0.31) MAPKAPK2PKMPDE3BPDE3A

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 GRIA1 2013/4885MAP3K11 4194/4885SMYD3 1768/4885

“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.