SCHEMBL2769715

SCHEMBL2769715

O=C(O)COc1cccc(CCCc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.74
PPARG P37231 2/20 0.74
PTGIR P43119 2/20 0.60
ALOX15 P16050 1/20 0.59
PTGDR2 Q9Y5Y4 7/20 0.59
LMNA P02545 1/20 0.57
PTPN7 P35236 1/20 0.54
FFAR1 O14842 2/20 0.54
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL3169110 0.89 PPARA (0.72) PPARAPPARGPTGIRALOX15PTGDR2
SCHEMBL3165681 0.88 PPARA (0.70) PPARAPPARGPTGIRALOX15PTGDR2
SCHEMBL3165108 0.88 PPARA (0.74) PPARAPPARGPTGIRALOX15PTGDR2
SCHEMBL17284879 0.86 PPARA (0.77) PPARAPPARGPTGIRALOX15PTGDR2
SCHEMBL3169568 0.86 PPARA (0.72) PPARAPPARGPTGIRALOX15PTGDR2
SCHEMBL17284878 0.86 PPARA (0.77) PPARAPPARGPTGIRALOX15PTGDR2
SCHEMBL7418117 0.85 PPARA (0.67) PPARAPPARGPTGIRALOX15PTGDR2
SCHEMBL9502544 0.85 PPARA (1.00) PPARAPPARGPTGIRLMNA
SCHEMBL1635493 0.85 PPARA (1.00) PPARAPPARGPTGIRLMNA
SCHEMBL17284884 0.85 PPARA (0.75) PPARAPPARGPTGIRALOX15PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
EP-0888303-B1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD PHARMA INC (US) 2010-04-21 EP disclosed
EP-0776327-B1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS INC (US) 2005-07-06 EP disclosed
US-20040006233-A1 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030036654-A1 Synthetic multimerizing agents HOLT DENNIS A (US) 2003-02-20 US disclosed
US-20020161240-A1 Synthetic multimerizing agents ARIAD GENE THERAPEUTICS, INC. 2002-10-31 US disclosed
US-6150527-A Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6133456-A DIMERS OF THE MACROCYCLIC NATURAL PRODUCT, FK506, COVALENTLY ATTACHED TO EACH OTHER VIA A SYNTHETIC LINKER MOIETY ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-17 US disclosed
WO-1997031899-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERISING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 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 (4 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-20020161240-A1 Synthetic multimerizing agents SSB, F13B, LCP2 PPARA 4812/4885PPARG 4748/4885PTGIR 3914/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 PPARA 4156/4885PPARG 3704/4885PTGIR 4286/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 PPARA 4253/4885PPARG 3830/4885PTGIR 4230/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 PPARA 4414/4885PPARG 3958/4885PTGIR 4076/4885

“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.