SCHEMBL3963614

SCHEMBL3963614

CCO[C@@H](Cc1ccc(OCC(=O)N(CC)Cc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.58
TRPM8 Q7Z2W7 2/20 0.55
PPARG P37231 11/20 0.52
PPARD Q03181 6/20 0.52

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
SCHEMBL4901621 1.00 PPARA (0.58) PPARATRPM8PPARGPPARD
SCHEMBL3969064 0.96 PPARA (0.60) PPARAPPARGPPARD
Tert-Butylamine SCHEMBL3964022 0.95 PPARA (0.53) PPARATRPM8PPARGPPARD
SCHEMBL3961379 0.93 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL3960349 0.93 PPARA (0.59) PPARATRPM8PPARGPPARD
SCHEMBL3966536 0.92 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL3964395 0.92 PPARA (0.58) PPARATRPM8PPARGPPARD
SCHEMBL5721440 0.91 TRPM8 (0.67) PPARATRPM8PPARGPPARD
SCHEMBL3963766 0.91 TRPM8 (0.67) PPARATRPM8PPARGPPARD
SCHEMBL3960338 0.91 PPARA (0.57) PPARAPPARGPPARD

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-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 US 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
US-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 US 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 539/4885TRPM8 4238/4885PPARG 479/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP PPARA 346/4885TRPM8 4071/4885PPARG 228/4885

“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.