SCHEMBL4575136

SCHEMBL4575136

CC(C)(Oc1ccc(CCNCc2ccc(-c3noc(C4CC4)n3)cc2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.52
SPHK1 Q9NYA1 3/20 0.45
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45
TUBB2A Q13885 3/20 0.45
TUBB8 Q3ZCM7 3/20 0.45
TUBA3E Q6PEY2 3/20 0.45
TUBA1A Q71U36 3/20 0.45
TUBA1C Q9BQE3 3/20 0.45
TUBB6 Q9BUF5 3/20 0.45
TUBB2B Q9BVA1 3/20 0.45
TUBB1 Q9H4B7 3/20 0.45
ADRB3 P13945 3/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4575380 0.90 SPHK1 (0.43) PPARASPHK1TUBB4ATUBBTUBA3C
SCHEMBL4575610 0.90 TUBB4A (0.43) PPARASPHK1TUBB4ATUBBTUBA3C
SCHEMBL4574811 0.86 PPARA (0.46) PPARASPHK1TUBB4ATUBBTUBA3C
SCHEMBL4576160 0.81 PPARA (0.44) PPARATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4575172 0.79 ALDH1A1 (0.44) PPARASPHK1ALDH1A1LMNATSHR
SCHEMBL4575732 0.78 PPARA (0.43) PPARATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4575858 0.78 ALDH1A1 (0.43) PPARASPHK1ALDH1A1LMNATSHR
SCHEMBL4575704 0.78 PPARA (0.41) PPARATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4598247 0.76 PPARA (0.43) PPARATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4575126 0.76 TUBB4A (0.41) PPARATUBB4ATUBBTUBA3CTUBA1B

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 5 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-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 2/4885SPHK1 1566/4885TUBB4A 4367/4885

“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.