SCHEMBL499351

SCHEMBL499351

CC(C)(C)OC(=O)COc1cccc(C(=O)CCc2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 11/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM2 Q14416 1/20 0.42
PTAFR P25105 1/20 0.42
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
SCHEMBL8403490 0.86 GPR132 (0.48) GPR132ALDH1A1MAPTPTAFRHTT
SCHEMBL2789633 0.85 PPARA (0.49) GPR132GRM2PTAFRHTT
SCHEMBL2789632 0.81 GRM2 (0.44) GPR132ALDH1A1GRM2HTT
SCHEMBL16154938 0.81 MAPT (0.47) ALDH1A1MAPTTDP1HTT
SCHEMBL9369856 0.80 GPR132 (0.59) GPR132ALDH1A1
SCHEMBL499172 0.80 GPR132 (0.41) GPR132GRM2
SCHEMBL499701 0.79 MAPT (0.50) ALDH1A1MAPTTDP1HTT
SCHEMBL15804445 0.79 ALDH1A1 (0.45) ALDH1A1MAPTTDP1
SCHEMBL499414 0.79 MAPT (0.47) ALDH1A1MAPTTDP1HTT
SCHEMBL31637595 0.78 MAPT (0.47) MAPT

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-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
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
US-8106191-B2 Compounds based on N- acyl-pipecolyl and N-acyl-prolyl ligand moieties for multimerizing chimeric proteins containing immunophilin-derived domains ARIAD PHARMACEUTICALS, INC. (US) 2012-01-31 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 GPR132 3857/4885ALDH1A1 4421/4885MAPT 3133/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 GPR132 3138/4885ALDH1A1 4766/4885MAPT 1486/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 GPR132 3124/4885ALDH1A1 4740/4885MAPT 1391/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 GPR132 1673/4885ALDH1A1 4760/4885MAPT 915/4885

“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.