SCHEMBL2789633

SCHEMBL2789633

CC(C)(C)OC(=O)COc1cccc(CCCc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.49
PPARG P37231 2/20 0.49
PTGER2 P43116 2/20 0.45
GRM2 Q14416 1/20 0.44
TBXAS1 P24557 7/20 0.43
GPR132 Q9UNW8 1/20 0.43
PTAFR P25105 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.41
HTT P42858 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
SCHEMBL2769998 0.86 PPARA (0.55) PPARAPPARG
SCHEMBL499351 0.85 GPR132 (0.47) GRM2GPR132PTAFRHTT
SCHEMBL2789632 0.85 GRM2 (0.44) PPARAPPARGPTGER2GRM2GPR132
SCHEMBL7110156 0.83 PPARA (0.55) PPARAPPARG
SCHEMBL2770489 0.83 PPARA (0.62) PPARAPPARGPTGER2TBXAS1
SCHEMBL499172 0.83 GPR132 (0.41) GRM2GPR132SMN1; SMN2KDM4E
SCHEMBL31637595 0.81 MAPT (0.47) SMN1; SMN2KDM4E
SCHEMBL2087239 0.81 MAPT (0.47) SMN1; SMN2KDM4E
SCHEMBL7421105 0.80 CYP4F2 (0.52) PPARAPPARG
SCHEMBL2769640 0.80 MTNR1A (0.50) PPARAPPARGSMN1; SMN2

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 9 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

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 4748/4885PTGER2 2235/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 PPARA 4156/4885PPARG 3704/4885PTGER2 4448/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 PPARA 4253/4885PPARG 3830/4885PTGER2 4423/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 PPARA 4414/4885PPARG 3958/4885PTGER2 4165/4885

“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.