SCHEMBL6400225

SCHEMBL6400225

Cc1cnc(NCC(c2ccc(-c3ccc(O)cc3)s2)P2(=O)OCCO2)cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.32
WRN Q14191 4/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B2 P37059 2/20 0.31
ESRRG P62508 1/20 0.30
HSD17B1 P14061 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
SCHEMBL6405232 0.87
SCHEMBL6398254 0.82 APP (0.32) APPESR1ESR2HSD17B2HSD17B1
SCHEMBL6408010 0.82
SCHEMBL6396490 0.74 ESR1 (0.30) APPESR1ESR2ESRRG
SCHEMBL6402237 0.73 LMNA (0.33) WRN
SCHEMBL6402240 0.71 LMNA (0.34) APPESR1ESR2HSD17B2ESRRG
SCHEMBL6318053 0.71 NFKB1 (0.38)
SCHEMBL6399807 0.67 ESR1 (0.30) APPESR1ESR2ESRRG
SCHEMBL6403483 0.67 HSD17B2 (0.33) APPHSD17B2HSD17B1
SCHEMBL6319387 0.63 MEN1 (0.39)

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 3 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
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL APP 374/4885WRN 3480/4885ESR1 398/4885
US-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK APP 3857/4885WRN 1057/4885ESR1 4669/4885

“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.