SCHEMBL6004392

SCHEMBL6004392

Cc1c(Cl)cc(S(=O)(=O)O)cc1NC(=O)CCC(N)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.70
LTA4H P09960 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL14617498 0.89 CASR (0.58) CASRLTA4HCA1CA2CA9
SCHEMBL14791528 0.89 CASR (0.61) CASRCA1CA2CA9
SCHEMBL14791522 0.89 CASR (0.61) CASRLTA4HCA1CA2CA9
SCHEMBL14791533 0.87 CASR (0.62) CASRCA1CA2CA9
SCHEMBL14791469 0.85 CASR (0.65) CASR
SCHEMBL10168515 0.83 CASR (0.50) CASRLTA4H
Upacicalcet SCHEMBL14471556 0.82 CASR (1.00) CASR
Upacicalcet SCHEMBL14471867 0.82 CASR (1.00) CASR
Upacicalcet SCHEMBL30143430 0.82 CASR (1.00) CASR
SCHEMBL177362 0.81 CASR (0.69) CASRCA1CA2CA9

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 CASR 150/4885LTA4H 686/4885CA1 3235/4885

“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.