SCHEMBL13545501

SCHEMBL13545501

O=C(O)CCCCNC(=O)c1cc(F)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
NAAA Q02083 1/20 0.51
CDK1 P06493 1/20 0.49
EGLN2 Q96KS0 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL2158927 0.99 MAPK1 (0.55) MAPK1NAAACDK1EGLN2EGLN1
SCHEMBL13523836 0.86 NAAA (0.56) NAAACDK1ALDH1A1KDM4EHDAC3
SCHEMBL11038520 0.84 NAAA (0.72) MAPK1NAAACDK1ALDH1A1CYP1A2
SCHEMBL5655974 0.84 NAAA (0.72) MAPK1NAAACDK1ALDH1A1CYP1A2
SCHEMBL7743414 0.83 HDAC3 (0.55) MAPK1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4622847 0.83 CDK1 (0.72) MAPK1NAAACDK1CYP1A2CYP2C9
SCHEMBL29036025 0.82 MAPK1 (0.63) MAPK1NAAACDK1ALDH1A1CYP1A2
SCHEMBL2158919 0.82 ALDH1A1 (0.64) MAPK1NAAACDK1ALDH1A1CYP1A2
SCHEMBL2164508 0.82 NAAA (0.57) MAPK1NAAACDK1ALDH1A1CYP1A2
SCHEMBL31661686 0.82 NAAA (0.57) MAPK1NAAACDK1ALDH1A1CYP1A2

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-8785381-B2 Oral GLP-1 formulations EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-22 US disclosed
US-8785381-B2 Oral GLP-1 formulations EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-22 US disclosed
US-20100016229-A1 Oral GLP-1 Formulations NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2010-01-21 US disclosed
US-20100016229-A1 Oral GLP-1 Formulations NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2010-01-21 US disclosed
EP-1972349-A1 GLP-1 fusion peptides conjugated to polymer(s), their production and use Biocompatibles UK Limited (GB) 2008-09-24 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-20100016229-A1 Oral GLP-1 Formulations GLP1R, GIPR, GCGR MAPK1 1776/4885NAAA 1371/4885CDK1 4447/4885

“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.