SCHEMBL3962831

SCHEMBL3962831

CCCCN(Cc1ccc(C(F)(F)F)cc1F)C(=O)COc1ccc(C[C@H](OCC)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.49
PPARG P37231 13/20 0.49
PPARD Q03181 8/20 0.49
FFAR1 O14842 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.42
HTR2A P28223 1/20 0.42
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Tert-Butylamine SCHEMBL3963631 0.98 PPARA (0.47) PPARAPPARGPPARDFFAR1LTB4R2
SCHEMBL3960456 0.93 FFAR1 (0.43) PPARAPPARGPPARDFFAR1LTB4R2
SCHEMBL3968805 0.90 PPARA (0.48) PPARAPPARGPPARDHTR2AUSP2
SCHEMBL4898468 0.89 PPARA (0.52) PPARAPPARGPPARDLTB4R2
SCHEMBL3959985 0.89 PPARA (0.52) PPARAPPARGPPARDLTB4R2
Tert-Butylamine SCHEMBL3962778 0.87 PPARA (0.49) PPARAPPARGPPARDLTB4R2
SCHEMBL4073462 0.86 PPARA (0.47) PPARAPPARGPPARDHTR2A
SCHEMBL3962800 0.86 PPARA (0.47) PPARAPPARGPPARDHTR2A
SCHEMBL3963764 0.86 PPARA (0.47) PPARAPPARGPPARDHTR2A
SCHEMBL3965062 0.86 PPARA (0.47) PPARAPPARGPPARDHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462644-B2 Therapeutic agents ASTRAZENECA AB (SE) 2008-12-09 US claimed
EP-1572626-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2005-09-14 EP claimed
US-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 US claimed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO claimed
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-7462644-B2 Therapeutic agents ASTRAZENECA AB (SE) 2008-12-09 US disclosed
WO-2007008156-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A SUBSTITUTED PHENYLPROPIONIC ACID AS A FREE ACID AND AS TERT-BUTYL AMINE SALT THEREOF ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
EP-1572626-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2005-09-14 EP disclosed
US-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 US disclosed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 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-20050131068-A1 Therapeutic agents GPR119, INSR, LIPA PPARA 539/4885PPARG 479/4885PPARD 698/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP PPARA 346/4885PPARG 228/4885PPARD 623/4885

“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.