SCHEMBL2821382

SCHEMBL2821382

CC(C)(Sc1ccc(C(=O)OCc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
HSP90AB1 P08238 2/20 0.45
HDAC1 Q13547 2/20 0.45
PTGS2 P35354 2/20 0.41
TBXAS1 P24557 2/20 0.41
KDM1A O60341 1/20 0.41
TGM2 P21980 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.39
PTGES O14684 1/20 0.39
SRPK1 Q96SB4 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
SCHEMBL2820647 0.93 ALOX5 (0.48) ALOX5HSP90AB1TBXAS1KDM1APOLB
SCHEMBL2820194 0.93 ALOX5 (0.48) ALOX5HSP90AB1HDAC1TBXAS1POLB
SCHEMBL2819426 0.91 HDAC1 (0.48) ALOX5HSP90AB1HDAC1PTGS2TBXAS1
SCHEMBL2819724 0.91 ALOX5 (0.43) ALOX5HSP90AB1HDAC1TBXAS1KDM1A
SCHEMBL2821679 0.90 HDAC1 (0.43) ALOX5HSP90AB1HDAC1PTGS2KDM1A
SCHEMBL2819127 0.90 ALOX5 (0.46) ALOX5HSP90AB1TBXAS1KDM1APOLB
SCHEMBL2819631 0.90 POLB (0.51) ALOX5HSP90AB1HDAC1TBXAS1KDM1A
SCHEMBL2821360 0.90 ALOX5 (0.56) ALOX5HSP90AB1POLBL3MBTL1
SCHEMBL2821229 0.89 ALOX5 (0.48) ALOX5HSP90AB1HDAC1TBXAS1KDM1A
SCHEMBL2820658 0.86 HDAC1 (0.42) HSP90AB1HDAC1PTGS2TBXAS1KDM1A

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 570/4885HSP90AB1 937/4885HDAC1 1167/4885

“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.