SCHEMBL4575221

SCHEMBL4575221

CC(C)CCc1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(-c3noc(C4CC4)n3)cc2)no1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.42
TSHR P16473 5/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
FABP1 P07148 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
FFAR1 O14842 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
NAMPT P43490 1/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL4575041 0.94 PPARA (0.43) PPARATSHRLMNAALDH1A1HTT
SCHEMBL4576160 0.91 PPARA (0.44) PPARATSHRLMNAALDH1A1HTT
SCHEMBL4575537 0.91 PPARA (0.45) PPARATSHRLMNAALDH1A1HTT
SCHEMBL4575172 0.89 ALDH1A1 (0.44) PPARATSHRLMNAALDH1A1HTT
SCHEMBL4574680 0.88 PPARA (0.42) PPARATSHRLMNAALDH1A1HTT
SCHEMBL4575858 0.88 ALDH1A1 (0.43) PPARATSHRLMNAALDH1A1HTT
SCHEMBL4575732 0.88 PPARA (0.43) PPARATSHRLMNAALDH1A1HTT
SCHEMBL4598247 0.86 PPARA (0.43) PPARATSHRLMNAALDH1A1HTT
SCHEMBL4575126 0.85 TUBB4A (0.41) PPARATSHRLMNAALDH1A1HTT
SCHEMBL4574848 0.85 LMNA (0.43) PPARATSHRLMNAALDH1A1HTT

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 2/4885TSHR 1136/4885LMNA 3670/4885

“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.