SCHEMBL6402240

SCHEMBL6402240

Cc1cc(C)nc(NCC(c2ccc(-c3ccc(O)cc3)s2)P2(=O)O[C@@H](C)[C@@H](C)O2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESRRG P62508 2/20 0.33
HSD17B2 P37059 2/20 0.32
HSD17B1 P14061 1/20 0.32
IGF1R P08069 1/20 0.32
APP P05067 3/20 0.32
ALPG P10696 2/20 0.31
ALPL P05186 1/20 0.31
PLAA Q9Y263 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6402237 0.82 LMNA (0.33) LMNASMN1; SMN2IGF1R
SCHEMBL6317568 0.72 CA2 (0.36) LMNASMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL6408010 0.71
SCHEMBL6399807 0.67 ESR1 (0.30) ESRRGAPPESR1ESR2
SCHEMBL6403483 0.67 HSD17B2 (0.33) HSD17B2HSD17B1APP
SCHEMBL6405232 0.65
SCHEMBL6398254 0.63 APP (0.32) HSD17B2HSD17B1APPESR1ESR2
SCHEMBL6325762 0.60 LMNA (0.38) LMNASMN1; SMN2ALPGALPLPLAA
SCHEMBL6401040 0.59 APP (0.33) ESRRGHSD17B2HSD17B1APPESR1
SCHEMBL4442420 0.57 APP (0.70) ESRRGHSD17B2HSD17B1APPESR1

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 LMNA 144/4885SMN1; SMN2 4738/4885ESRRG 349/4885

“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.