SCHEMBL8536337

SCHEMBL8536337

COCC(=O)NCCOCCNC(=O)COC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SPR P35270 1/20 0.44
HPGD P15428 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8537710 0.98 MEN1 (0.48) TSHRMEN1KMT2ASPRHPGD
SCHEMBL8537552 0.98 MEN1 (0.48) TSHRMEN1KMT2ASPRHPGD
SCHEMBL22849300 0.92 MTNR1A (0.42) TSHRMEN1KMT2ASPRHPGD
SCHEMBL18391523 0.92 TSHR (0.40) TSHRMEN1KMT2ASPRHPGD
SCHEMBL20327715 0.92 EPHX2 (0.43) TSHRMEN1KMT2ASPRHPGD
SCHEMBL16938306 0.92 MEN1 (0.48) TSHRMEN1KMT2ASPRHPGD
SCHEMBL13184679 0.92 TSHR (0.40) TSHRMEN1KMT2ASPRHPGD
SCHEMBL24508454 0.90 MEN1 (0.47) TSHRMEN1KMT2ASPRHPGD
SCHEMBL22856422 0.90 ALDH1A1 (0.47) TSHRMEN1KMT2ASPRHPGD
SCHEMBL22606455 0.90 MEN1 (0.43) TSHRMEN1KMT2ASPRHPGD

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TSHR 3868/4885MEN1 1671/4885KMT2A 1904/4885

“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.