SCHEMBL6004453

SCHEMBL6004453

Cc1ccc(NC(=O)CCC(N)C(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.55
CASR P41180 4/20 0.50
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6003044 0.86 LTA4H (0.56) LTA4HCASRSLC1A3SLC1A2SLC1A1
SCHEMBL6003045 0.85 LTA4H (0.55) LTA4HCASRSLC1A3SLC1A2SLC1A1
SCHEMBL11574994 0.83 LTA4H (0.50) LTA4HCASRALDH1A1MAPTKMT2A
SCHEMBL6004422 0.81 CASR (0.67) LTA4HCASRSLC1A3SLC1A2SLC1A1
SCHEMBL9816133 0.81 LTA4H (0.51) LTA4HCASRALDH1A1KMT2A
SCHEMBL6004389 0.81 CASR (0.55) LTA4HCASR
SCHEMBL14791465 0.81 CASR (0.55) LTA4HCASR
SCHEMBL12329175 0.81 CASR (0.73) CASR
SCHEMBL11615880 0.79 LTA4H (0.68) LTA4HCASRKMT2A
SCHEMBL6004419 0.78 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 150/4885ALDH1A1 796/4885

“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.