SCHEMBL8537710

SCHEMBL8537710

COCC(=O)NCCOCCOCCNC(=O)COC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 3/20 0.44
SPR P35270 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL8537552 1.00 MEN1 (0.48) MEN1KMT2ATSHRSPRKDM4E
SCHEMBL8536337 0.98 TSHR (0.45) MEN1KMT2ATSHRSPRKDM4E
SCHEMBL22848850 0.92 MEN1 (0.43) MEN1KMT2ATSHRSPRKDM4E
SCHEMBL22606455 0.92 MEN1 (0.43) MEN1KMT2ATSHRSPRKDM4E
SCHEMBL22606458 0.92 MEN1 (0.43) MEN1KMT2ATSHRSPRKDM4E
SCHEMBL24508454 0.92 MEN1 (0.47) MEN1KMT2ATSHRSPRKDM4E
SCHEMBL15888695 0.92 ALDH1A1 (0.47) MEN1KMT2ATSHRSPRKDM4E
SCHEMBL22802989 0.92 MEN1 (0.43) MEN1KMT2ATSHRSPRKDM4E
SCHEMBL22856422 0.92 ALDH1A1 (0.47) MEN1KMT2ATSHRSPRKDM4E
SCHEMBL13341361 0.92 MEN1 (0.43) MEN1KMT2ATSHRSPRKDM4E

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-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
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
US-20070161577-A1 Tethered dimers and trimers of 1,4-diphenylazetidin-2-ones IRONWOOD PHARMACEUTICALS, INC. 2007-07-12 US disclosed
US-20070161577-A1 Tethered dimers and trimers of 1,4-diphenylazetidin-2-ones IRONWOOD PHARMACEUTICALS, INC. 2007-07-12 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-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 MEN1 1671/4885KMT2A 1904/4885TSHR 3868/4885
US-20070161577-A1 Tethered dimers and trimers of 1,4-diphenylazetidin-2-ones APOB, PCSK9, HDLBP MEN1 2381/4885KMT2A 2068/4885TSHR 2747/4885

“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.