SCHEMBL5574203

SCHEMBL5574203

CCOC(=O)CNC(=O)COc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.58
▸ ALOX15 P16050 3/20 0.47
▸ HPN P05981 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5574340 0.90 VCAM1 (0.55) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL5574398 0.88 VCAM1 (0.61) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL5576330 0.87 VCAM1 (0.58) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042623 0.87 VCAM1 (0.55) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL5576957 0.84 VCAM1 (0.41) VCAM1GAAMEN1KMT2AL3MBTL1
SCHEMBL6270647 0.84 VCAM1 (0.41) VCAM1GAAMEN1KMT2AL3MBTL1
SCHEMBL8241284 0.84 VCAM1 (0.52) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14417961 0.82 VCAM1 (0.60) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL5573386 0.81 VCAM1 (0.61) VCAM1ALOX15HPNMAPTSIRT5
Camobucol SCHEMBL4734553 0.81 VCAM1 (0.70) VCAM1ALOX15HPNMAPTSIRT5

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-7271274-B2 Phenolic antioxidants for the treatment of disorders including arthritis, asthma and coronary artery disease AHTEROGENICS, INC. (US) 2007-09-18 — — US disclosed
US-20060020038-A1 Phenolic antioxidants for the treatment of disorders including arthritis, asthma and coronary artery disease CRABTREE ACQUISITION CO, LLC 2006-01-26 — — US disclosed
WO-2005112914-A2 PHENOLIC ANTIOXIDANTS FOR THE TREATMENT OF DISORDERS INCLUDING ARTHRITIS, ASTHMA AND CORONARY ARTERY DISEASE ATHEROGENICS, INC. (US) 2005-12-01 — — WO 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-20060020038-A1 Phenolic antioxidants for the treatment of disorders including arthritis, asthma and coronary artery disease MPO, ALOX15B, ALOX12 VCAM1 961/4885ALOX15 6/4885HPN 2228/4885

“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.

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