SCHEMBL430509

SCHEMBL430509

NC(CCCc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.52
PLAAT3 P53816 2/20 0.52
PLAAT5 Q96KN8 2/20 0.52
PLAAT2 Q9NWW9 2/20 0.52
PLAAT4 Q9UL19 2/20 0.52
KIF11 P52732 3/20 0.51
SLC1A5 Q15758 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
PNMT P11086 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL16542492 1.00 GRIK1 (0.52) GRIK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL30963029 0.91 SLC1A5 (0.55) GRIK1KIF11SLC1A5HTR3EHTR3B
SCHEMBL7344592 0.91 SLC1A5 (0.55) GRIK1KIF11SLC1A5HTR3EHTR3B
SCHEMBL7344594 0.91 SLC1A5 (0.55) GRIK1KIF11SLC1A5HTR3EHTR3B
SCHEMBL30861851 0.91 SLC1A5 (0.55) GRIK1KIF11SLC1A5HTR3EHTR3B
SCHEMBL20425536 0.91 SLC1A5 (0.55) GRIK1KIF11SLC1A5HTR3EHTR3B
SCHEMBL27755039 0.88 HTR3E (0.54) PLAAT3PLAAT5PLAAT2PLAAT4KIF11
SCHEMBL27755037 0.88 HTR3E (0.54) PLAAT3PLAAT5PLAAT2PLAAT4KIF11
SCHEMBL8594836 0.84 PLAAT3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4HTR3E
SCHEMBL2130589 0.82 GRIK1 (0.73) GRIK1KIF11SMN1; SMN2KMT2A

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-8883963-B2 Peptidomimetics with glucagon antagonistic and GLP 1 agonistic activities CADILA HEALTHCARE LIMITED (IN) 2014-11-11 US disclosed
EP-2231701-B1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LTD (IN) 2012-04-18 EP disclosed
US-20120021972-A1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP 1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2012-01-26 US disclosed
EP-2231701-A2 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES Cadila Healthcare Limited (IN) 2010-09-29 EP disclosed
WO-2009125424-A2 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2009-10-15 WO 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-20120021972-A1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP 1 AGONISTIC ACTIVITIES GLP1R, GPR119, GIPR GRIK1 368/4885PLAAT3 2102/4885PLAAT5 2169/4885

“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.