SCHEMBL2820637

SCHEMBL2820637

CCCn1c(C(OC(=O)c2ccc(SC(C)(C)C(=O)O)cc2)C(F)(F)F)nn(Cc2ccc(C)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.46
PPARG P37231 4/20 0.46
PPARD Q03181 2/20 0.44
TBXAS1 P24557 2/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
TBXA2R P21731 1/20 0.34

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
SCHEMBL2820635 1.00 PPARA (0.46) PPARAPPARGPPARDTBXAS1KMT2A
SCHEMBL2822031 1.00 PPARA (0.46) PPARAPPARGPPARDTBXAS1KMT2A
SCHEMBL2818706 0.93 PPARA (0.38) PPARAPPARGPPARDTBXAS1KMT2A
SCHEMBL2821472 0.90 PPARA (0.47) PPARAPPARGPPARDTBXAS1P2RX3
SCHEMBL2823830 0.90 PPARA (0.47) PPARAPPARGPPARDTBXAS1P2RX3
SCHEMBL2821474 0.90 PPARA (0.47) PPARAPPARGPPARDTBXAS1P2RX3
SCHEMBL3469086 0.88 PPARA (0.35) PPARAPPARGPPARDTBXAS1KMT2A
SCHEMBL2823661 0.85 KMT2A (0.34) PPARAPPARGPPARDKMT2AHDAC3
SCHEMBL2820810 0.83 PPARA (0.42) PPARAPPARGPPARDTBXAS1P2RX3
SCHEMBL2819367 0.81 PPARA (0.55) PPARAPPARGPPARDTBXAS1

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 PPARA 1/4885PPARG 3/4885PPARD 2/4885

“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.