SCHEMBL6004422

SCHEMBL6004422

Cc1cc(C)c(S(=O)(=O)O)cc1NC(=O)CCC(N)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.67
LTA4H P09960 4/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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 0.81 LTA4H (0.55) CASRLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL25760398 0.80 CASR (1.00) CASRCYP3A4CYP2C19
SCHEMBL12327077 0.80 CASR (1.00) CASRCYP3A4CYP2C19
SCHEMBL11576378 0.76 CASR (0.47) CASRLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL6005259 0.76 CASR (0.79) CASRLTA4H
SCHEMBL14471709 0.76 CASR (0.79) CASRLTA4H
SCHEMBL6005527 0.75 CASR (0.57) CASRLTA4H
SCHEMBL6004392 0.75 CASR (0.70) CASRLTA4H
SCHEMBL6004389 0.75 CASR (0.55) CASRLTA4H
SCHEMBL14791465 0.75 CASR (0.55) CASRLTA4H

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 686/4885SLC1A3 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.