SCHEMBL6005259

SCHEMBL6005259

NC(CCC(=O)Nc1cc(Cl)cc(S(=O)(=O)O)c1O)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.79
LTA4H P09960 2/20 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
SCHEMBL14471709 1.00 CASR (0.79) CASRLTA4H
SCHEMBL14642109 0.91 CASR (0.79) CASRLTA4H
SCHEMBL14617497 0.88 CASR (0.76) CASRLTA4H
SCHEMBL14791484 0.88 CASR (1.00) CASRLTA4H
SCHEMBL14617496 0.86 CASR (0.73) CASR
SCHEMBL14791481 0.85 CASR (1.00) CASR
SCHEMBL14791511 0.85 CASR (0.78) CASR
SCHEMBL14617500 0.85 CASR (0.72) CASRLTA4H
SCHEMBL14471824 0.85 CASR (0.72) CASR
SCHEMBL17682894 0.85 CASR (0.77) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951615-B Alkylamine derivative EA制药株式会社 2017-04-12 CN disclosed
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 CASR 150/4885LTA4H 686/4885

“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.