SCHEMBL2821989

SCHEMBL2821989

Cc1ccc(Cn2cc(COC(=O)c3ccc(SC(C)(C)C(=O)O)cc3)c(C(F)(F)F)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
KLKB1 P03952 12/20 0.40
DGAT1 O75907 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2818650 0.85 PPARA (0.44) TBXAS1KLKB1DGAT1
SCHEMBL2823043 0.81 PTGER4 (0.38) TBXAS1DGAT1HTT
SCHEMBL2819674 0.81 TBXAS1 (0.43) TBXAS1KLKB1HTTTSHRPOLB
SCHEMBL2819631 0.80 POLB (0.51) TBXAS1TSHRPOLBL3MBTL1
SCHEMBL2822440 0.76 TBXAS1 (0.41) TBXAS1HTTSMN1; SMN2
SCHEMBL2821382 0.76 ALOX5 (0.47) TBXAS1POLBL3MBTL1
SCHEMBL2820647 0.75 ALOX5 (0.48) TBXAS1POLBL3MBTL1
SCHEMBL2821247 0.75 HDAC1 (0.46) TBXAS1POLBL3MBTL1
SCHEMBL2822704 0.75 PPARA (0.43) TBXAS1
SCHEMBL2819380 0.75 PPARA (0.51) TBXAS1HTTTSHRPOLBL3MBTL1

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 3 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

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 TBXAS1 444/4885KLKB1 1854/4885DGAT1 379/4885

“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.