SCHEMBL4598247

SCHEMBL4598247

CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3ccccc3)n2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.43
PPARG P37231 8/20 0.43
PPARD Q03181 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
FABP1 P07148 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 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
SCHEMBL4575126 0.95 TUBB4A (0.41) PPARAPPARGPPARDLMNATSHR
SCHEMBL4574848 0.94 LMNA (0.43) PPARAPPARGPPARDLMNATSHR
SCHEMBL4576216 0.94 MEN1 (0.41) PPARAPPARGPPARDLMNATSHR
SCHEMBL4576160 0.93 PPARA (0.44) PPARAPPARGPPARDLMNATSHR
SCHEMBL4575686 0.93 PPARA (0.42) PPARAPPARGPPARDLMNATSHR
SCHEMBL4575831 0.93 PPARA (0.43) PPARAPPARGPPARDLMNAHTT
SCHEMBL4575133 0.92 FABP1 (0.40) PPARAPPARGPPARDNR1H4FABP1
SCHEMBL4575329 0.92 PPARA (0.40) PPARAPPARGPPARDLMNATSHR
SCHEMBL4575348 0.91 NPC1 (0.41) PPARAPPARGPPARDLMNATSHR
SCHEMBL4575545 0.91 NPC1 (0.40) PPARAPPARGPPARDLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PPARD 3/4885

“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.