SCHEMBL6003044

SCHEMBL6003044

NC(CCC(=O)Nc1ccc(O)c(S(=O)(=O)O)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.56
CASR P41180 6/20 0.51
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL6004453 0.86 LTA4H (0.55) LTA4HCASRSLC1A3SLC1A2SLC1A1
SCHEMBL6003045 0.86 LTA4H (0.55) LTA4HCASRSLC1A3SLC1A2SLC1A1
SCHEMBL30502422 0.84 LTA4H (0.65) LTA4HCASRSLC1A3SLC1A2SLC1A1
SCHEMBL9816133 0.82 LTA4H (0.51) LTA4HCASR
SCHEMBL11574994 0.82 LTA4H (0.50) LTA4HCASR
SCHEMBL176867 0.81 LTA4H (0.60) LTA4HCASR
SCHEMBL11615880 0.80 LTA4H (0.68) LTA4HCASR
Hydrochloric Acid SCHEMBL11250845 0.80 LTA4H (0.59) LTA4HCASR
SCHEMBL11613830 0.79 CASR (0.66) LTA4HCASR
SCHEMBL6004419 0.79 CASR (0.66) LTA4HCASR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281394-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-20130281394-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
WO-2012054530-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 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-20130281394-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 LTA4H 686/4885CASR 150/4885SLC1A3 1542/4885

“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.