SCHEMBL6359283

SCHEMBL6359283

CCCCCCCN(CCc1cccc(SC(C)(C)C(=O)OC(C)(C)C)c1)C(=O)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA4 P22748 3/20 0.43
PPARG P37231 5/20 0.42
PPARA Q07869 5/20 0.42
PPARD Q03181 1/20 0.42
DRD2 P14416 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL6360658 0.90 PPARA (0.51) CA12CA1CA2CA4PPARG
SCHEMBL6546254 0.89 PPARA (0.40) CA12CA1CA2CA4PPARG
SCHEMBL7596464 0.81 PPARA (0.46) CA12CA1CA2PPARGPPARA
SCHEMBL6356266 0.78 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL6356406 0.77 PPARA (0.45) PPARGPPARAPPARD
SCHEMBL6358534 0.77 PPARA (0.56) PPARGPPARAPPARD
SCHEMBL6360557 0.77 CYP2D6 (0.44) PPARGPPARA
SCHEMBL6359924 0.76 TRPV1 (0.51)
SCHEMBL6363253 0.76 PPARA (0.57) CA12CA1CA2CA4PPARG
SCHEMBL6359751 0.74 PPARA (0.52) CA12CA1CA2CA4PPARG

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-20050075377-A1 PPAR compounds PFIZER INC 2005-04-07 US disclosed
EP-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20020169192-A1 PPAR compounds HAYWARD CHERYL M (US) 2002-11-14 US disclosed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-08-22 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 (2 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-20020169192-A1 PPAR compounds PPARA, PPARG, PPARD CA12 4885/4885CA1 4880/4885CA2 4851/4885
US-20050075377-A1 PPAR compounds PPARA, PPARG, PPARD CA12 4885/4885CA1 4880/4885CA2 4851/4885

“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.