SCHEMBL2821229

SCHEMBL2821229

COc1ccc(Cn2cc(COC(=O)c3ccc(SC(C)(C)C(=O)O)cc3)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
CYP19A1 P11511 3/20 0.48
HSP90AB1 P08238 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.45
KDM1A O60341 3/20 0.45
TBXAS1 P24557 2/20 0.42
SNCA P37840 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 1/20 0.40

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
SCHEMBL2819127 0.92 ALOX5 (0.46) ALOX5CYP19A1HSP90AB1NPC1RAB9A
SCHEMBL2819631 0.91 POLB (0.51) ALOX5CYP19A1HSP90AB1HDAC1KDM1A
SCHEMBL2821360 0.91 ALOX5 (0.56) ALOX5CYP19A1HSP90AB1NPC1RAB9A
SCHEMBL2820194 0.91 ALOX5 (0.48) ALOX5HSP90AB1HDAC1TBXAS1POLB
SCHEMBL2820647 0.91 ALOX5 (0.48) ALOX5CYP19A1HSP90AB1KDM1ATBXAS1
SCHEMBL2823774 0.90 KDM1A (0.49) ALOX5CYP19A1HSP90AB1NPC1RAB9A
SCHEMBL2821382 0.89 ALOX5 (0.47) ALOX5HSP90AB1HDAC1KDM1ATBXAS1
SCHEMBL2819724 0.87 ALOX5 (0.43) ALOX5CYP19A1HSP90AB1HDAC1KDM1A
SCHEMBL2821752 0.85 CYP19A1 (0.51) ALOX5CYP19A1HSP90AB1NPC1RAB9A
SCHEMBL2823157 0.85 L3MBTL1 (0.45) NPC1RAB9AMEN1KMT2ATBXAS1

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG ALOX5 570/4885CYP19A1 296/4885HSP90AB1 937/4885

“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.