SCHEMBL6006561

SCHEMBL6006561

NC(CCC(=O)Nc1ccc(Cl)c(C(=O)O)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.59
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 2/20 0.50
SLC1A3 P43003 3/20 0.46
SLC1A2 P43004 3/20 0.46
SLC1A1 P43005 3/20 0.46
CASR P41180 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL10599992 0.90 LTA4H (0.59) LTA4HPOLBALDH1A1SLC1A3SLC1A2
SCHEMBL7039236 0.85 LTA4H (0.60) LTA4HALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL176867 0.85 LTA4H (0.60) LTA4HKDM4EPOLBTDP1MAPT
Hydrochloric Acid SCHEMBL11250845 0.84 LTA4H (0.59) LTA4HKDM4EPOLBTDP1MAPT
SCHEMBL176775 0.81 LTA4H (0.55) LTA4HTDP1NPC1RAB9ACASR
SCHEMBL11574416 0.81 LTA4H (0.55) LTA4HSLC1A3SLC1A2SLC1A1CASR
SCHEMBL6003045 0.81 LTA4H (0.55) LTA4HSLC1A3SLC1A2SLC1A1CASR
SCHEMBL31370195 0.80 LTA4H (0.73) LTA4HPOLBALDH1A1SLC1A3SLC1A2
SCHEMBL1870730 0.80 LTA4H (0.54) LTA4HALDH1A1MEN1KMT2A
SCHEMBL14586345 0.80 LTA4H (0.54) LTA4HALDH1A1MEN1KMT2A

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 686/4885KDM4E 4693/4885POLB 4078/4885

“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.