SCHEMBL5574403

SCHEMBL5574403

CCOC(=O)COc1c(C(C)(C)C)cc(S(C)(CC)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 12/20 0.41
▸ GAA P10253 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPN P05981 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ NLRP3 Q96P20 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
SCHEMBL5576957 0.90 VCAM1 (0.41) VCAM1GAANPSR1
SCHEMBL5574359 0.88 VCAM1 (0.47) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL5574398 0.82 VCAM1 (0.61) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL5575971 0.81 VCAM1 (0.41) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL5138217 0.81 VCAM1 (0.39) VCAM1NPSR1ALOX15
SCHEMBL5576955 0.75 ALOX15 (0.37) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL6274260 0.74 VCAM1 (0.41) VCAM1GAANPSR1PKMHTT
SCHEMBL6274329 0.74 VCAM1 (0.41) VCAM1GAANPSR1PKMHTT
SCHEMBL29844088 0.73 NLRP3 (0.44) GAANPSR1SMN1; SMN2MAPTNLRP3
SCHEMBL5574203 0.72 VCAM1 (0.58) VCAM1GAANPSR1HPNMAPT

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-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

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 961/4885GAA 589/4885NPSR1 2078/4885

“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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