Sugi Predict

Sugi Predict / Compounds / SCHEMBL6319409

SCHEMBL6319409

SCHEMBL6319409

COc1cc(C(CNc2ccc(C)nc2C)P2(=O)OCC(C)(C)CO2)cc(OC)c1O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6272311 0.95 CYP1A2 (0.32) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6268716 0.87 MAPT (0.31) GAAKDM4EUSP2LMNAMAPT
SCHEMBL6324138 0.83 — —
SCHEMBL6321015 0.83 CYP1A2 (0.34) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6324547 0.82 CYP1A2 (0.31) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6317163 0.82 CYP1A2 (0.31) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6269390 0.80 — —
SCHEMBL6324570 0.80 CYP1A2 (0.31) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6319576 0.79 — —
SCHEMBL6324620 0.79 CYP1A2 (0.32) GAACYP1A2CYP3A4CYP2C9CYP2C19

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 4 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-20050159464-A1 Isothiazole carboxylic acid amides and the application thereof in order to protect plants ASSMANN LUTZ (DE) 2005-07-21 — — US disclosed
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-6716874-B1 AGONISTS AND/OR ANTAGONISTS OF NICOTINIC ACETYLCHOLINE RECEPTORS WITH CYCLIC KETOENOLS, DIHYDROFURANONE DERIVATIVE; 3-(TRIMETHYLPHENYL)-2-OXO-1-OXASPIRO(4.4)NON-3-EN-4-YL 3,3-DIMETHYLBUTYRATE; PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-04-06 — — 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-20050159464-A1 Isothiazole carboxylic acid amides and the application thereof in order to protect plants CAT, AADAC, CBR3 GAA 779/4885CYP1A2 265/4885CYP3A4 619/4885
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL GAA 1102/4885CYP1A2 2243/4885CYP3A4 2216/4885

“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.