SCHEMBL834063

SCHEMBL834063

CCC(NC(=O)OC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.54
PPARG P37231 5/20 0.54
PPARD Q03181 2/20 0.54
CTSK P43235 9/20 0.52
CTSS P25774 6/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
ACE P12821 1/20 0.49
PRSS1 P07477 1/20 0.48
CTSG P08311 1/20 0.48
CTRB1 P17538 1/20 0.48
CMA1 P23946 1/20 0.48
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47

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
SCHEMBL834064 1.00 PPARA (0.54) PPARAPPARGPPARDCTSKCTSS
SCHEMBL836148 0.89 CTSK (0.55) PPARAPPARGPPARDCTSKCTSS
SCHEMBL836149 0.89 CTSK (0.55) PPARAPPARGPPARDCTSKCTSS
SCHEMBL3744555 0.88 PPARA (0.54) PPARAPPARGPPARDCTSKCTSS
SCHEMBL3743249 0.88 PPARA (0.54) PPARAPPARGPPARDCTSKCTSS
SCHEMBL2108529 0.86 CTSS (0.65) PPARAPPARGPPARDCTSKCTSS
SCHEMBL26334491 0.85 PPARA (0.51) PPARAPPARGPPARDCTSKCTSS
SCHEMBL3635267 0.85 PPARA (0.51) PPARAPPARGPPARDCTSKCTSS
SCHEMBL2821349 0.84 NAMPT (0.46) PPARAPPARGPPARDCTSKCTSS
SCHEMBL13044347 0.83 PPARA (0.53) PPARAPPARGPPARDCTSKCTSS

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
CN-1802361-A M-stage kinesin inhibitor KYOWA HAKKO KOGYO KK (JP) 2006-07-12 CN 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 PPARA 885/4885PPARG 288/4885PPARD 371/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARA 885/4885PPARG 288/4885PPARD 371/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARA 885/4885PPARG 288/4885PPARD 371/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARA 885/4885PPARG 288/4885PPARD 371/4885

“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.