SCHEMBL6005176

SCHEMBL6005176

NC(CCC(=O)Nc1cc(Cl)cc(C(=O)O)c1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.46
LTA4H P09960 4/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41

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
SCHEMBL176750 1.00 CASR (0.46) CASRLTA4HKDM4EALDH1A1CYP3A4
SCHEMBL177265 0.82 LTA4H (0.52) CASRLTA4HMEN1KMT2A
SCHEMBL12327073 0.79 CASR (0.60) CASRCYP3A4
SCHEMBL25760375 0.79 CASR (0.60) CASRCYP3A4
SCHEMBL11038416 0.75 LTA4H (0.61) LTA4HKDM4EALDH1A1MEN1KMT2A
SCHEMBL6005259 0.75 CASR (0.79) CASRLTA4H
SCHEMBL14471709 0.75 CASR (0.79) CASRLTA4H
SCHEMBL176843 0.75 LTA4H (0.53) CASRLTA4HMEN1KMT2ASLC1A3
SCHEMBL6004434 0.75 LTA4H (0.53) CASRLTA4HMEN1KMT2ASLC1A3
SCHEMBL176722 0.74 CASR (0.65) CASRLTA4HALDH1A1MEN1KMT2A

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 686/4885KDM4E 4693/4885

“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.