SCHEMBL8537389

SCHEMBL8537389

COCC(=O)NCCCCCNC(=O)COC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.52
EPHX1 P07099 6/20 0.48
CASP2 P42575 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
NAAA Q02083 1/20 0.45
SPR P35270 1/20 0.45
PAOX Q6QHF9 1/20 0.40

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
SCHEMBL7786356 1.00 FAAH (0.55) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8326097 0.93 TSHR (0.54) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22525935 0.92 KDM4E (0.64) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22790988 0.92 KDM4E (0.64) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2719632 0.92 FAAH (0.68) FAAHMEN1KMT2AEPHX1CASP2
SCHEMBL24029657 0.92 KDM4E (0.64) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22144502 0.92 FAAH (0.49) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22856469 0.92 MEN1 (0.68) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24098140 0.92 FAAH (0.68) FAAHMEN1KMT2AEPHX1CASP2
SCHEMBL15888717 0.92 FAAH (0.68) FAAHMEN1KMT2AEPHX1CASP2

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 5 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
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

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 FAAH 2508/4885MEN1 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.