SCHEMBL4575329

SCHEMBL4575329

Cc1ccccc1-c1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(-c3noc(C4CC4)n3)cc2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.40
PPARG P37231 6/20 0.40
PPARD Q03181 2/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 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
SCHEMBL4575348 0.92 NPC1 (0.41) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4598247 0.92 PPARA (0.43) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4575126 0.90 TUBB4A (0.41) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4576160 0.90 PPARA (0.44) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4575732 0.88 PPARA (0.43) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4575545 0.88 NPC1 (0.40) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4575686 0.88 PPARA (0.42) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4576216 0.88 MEN1 (0.41) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4574848 0.88 LMNA (0.43) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4575172 0.87 ALDH1A1 (0.44) PPARAPPARGPPARDALDH1A1LMNA

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.