Sugi Predict

Sugi Predict / Compounds / SCHEMBL2604922

SCHEMBL2604922

SCHEMBL2604922

COc1ccc2cc([C@H](C)C(=O)OCC(=O)OCCOC(=O)COC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ PTGS2 P35354 6/20 0.61
▸ AKR1C3 P42330 3/20 0.61
▸ AKR1C2 P52895 3/20 0.61
▸ PTGS1 P23219 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ CDC42 P60953 1/20 0.61
▸ RAC1 P63000 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ SLC22A6 Q4U2R8 1/20 0.61
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ ABCB11 O95342 1/20 0.51

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
SCHEMBL16300323 1.00 TDP1 (0.64) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL2600812 0.94 TDP1 (0.57) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL217765 0.94 TDP1 (0.60) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL2547122 0.91 TDP1 (0.57) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL2544669 0.91 TDP1 (0.57) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL219678 0.90 TDP1 (0.53) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL554679 0.89 TDP1 (0.55) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL10145224 0.89 TDP1 (0.55) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL10189505 0.88 TDP1 (0.60) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL10145283 0.87 TDP1 (0.53) TDP1L3MBTL1PTGS2AKR1C3AKR1C2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163806-B2 Controlled release of biologically active compounds from multi-armed oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-04-24 — — US disclosed
US-20120010284-A1 CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2012-01-12 — — US disclosed
US-8026285-B2 Control release of biologically active compounds from multi-armed oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-09-27 — — US disclosed
US-8026285-B2 Control release of biologically active compounds from multi-armed oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-09-27 — — US disclosed
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-19 — — US disclosed
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-19 — — 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-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, CTSA, ALG1 TDP1 971/4885L3MBTL1 3068/4885PTGS2 3821/4885
US-20120010284-A1 CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, AADAC, LGMN TDP1 998/4885L3MBTL1 3583/4885PTGS2 3341/4885

“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.