SCHEMBL2821452

SCHEMBL2821452

CC(Cc1cn(Cc2ccc(C(C)(C)C)cc2)nn1)OC(=O)c1ccc(SC(C)(C)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSP90AB1 P08238 8/20 0.40
TBXAS1 P24557 2/20 0.40
HSP90AA1 P07900 6/20 0.39
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
KDM1A O60341 1/20 0.36
MME P08473 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL2821451 1.00 HDAC1 (0.44) HDAC1MEN1KMT2AHSP90AB1TBXAS1
SCHEMBL2820658 0.93 HDAC1 (0.42) HDAC1HSP90AB1TBXAS1KDM1A
SCHEMBL2819673 0.93 HDAC1 (0.42) HDAC1HSP90AB1TBXAS1KDM1A
SCHEMBL2819671 0.93 HDAC1 (0.42) HDAC1HSP90AB1TBXAS1KDM1A
SCHEMBL2822603 0.89 HDAC1 (0.42) HDAC1HSP90AB1TBXAS1HSP90AA1MGAM
SCHEMBL2822601 0.89 HDAC1 (0.42) HDAC1HSP90AB1TBXAS1HSP90AA1MGAM
SCHEMBL2823576 0.89 HDAC1 (0.42) HDAC1HSP90AB1TBXAS1HSP90AA1MGAM
SCHEMBL2820194 0.85 ALOX5 (0.48) HDAC1HSP90AB1TBXAS1HSP90AA1MGAM
SCHEMBL2821734 0.84 HDAC1 (0.49) HDAC1HSP90AB1TBXAS1HSP90AA1MGAM
SCHEMBL2819643 0.84 HDAC1 (0.42) HDAC1HSP90AB1TBXAS1KDM1A

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 HDAC1 1167/4885MEN1 4813/4885KMT2A 3469/4885

“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.