SCHEMBL6320582

SCHEMBL6320582

COc1cc(C(CNc2ccc(C)nc2C)P2(=S)CC[C@@H](C)C2)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
SLC22A3 O75751 1/20 0.35
BLM P54132 2/20 0.34
PMP22 Q01453 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
PTPN7 P35236 2/20 0.32
DUSP3 P51452 2/20 0.32
BCHE P06276 2/20 0.32
TYR P14679 2/20 0.32
ACHE P22303 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
TRPM8 Q7Z2W7 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL6318197 0.91 KDM4E (0.32) MAPTHPGDGAALMNANPSR1
SCHEMBL6320357 0.86 NFKB1 (0.37) NFKB1SLC22A3BLMPMP22TSHR
SCHEMBL6319681 0.81 SLC22A3 (0.39) NFKB1SLC22A3BLMPMP22TSHR
SCHEMBL6322972 0.77 SLC22A3 (0.37) NFKB1SLC22A3BLMPMP22TSHR
SCHEMBL6272028 0.74 ALPL (0.37) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL6318497 0.73 NFKB1 (0.36) NFKB1SLC22A3BLMPMP22TSHR
SCHEMBL6319816 0.71 PDE5A (0.32) LMNA
SCHEMBL6323031 0.71 SLC22A3 (0.40) NFKB1SLC22A3BLMPMP22TSHR
SCHEMBL6395956 0.71 KDM4E (0.32) MAPTHPGDGAALMNANPSR1
SCHEMBL6325948 0.70

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 NFKB1 924/4885SLC22A3 1164/4885BLM 3200/4885

“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.