SCHEMBL6005172

SCHEMBL6005172

COc1c(NC(=O)CCC(N)C(=O)O)cccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.67
LTA4H P09960 10/20 0.49
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCAR2 Q8TDS4 3/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL177554 1.00 CASR (0.67) CASRLTA4HALDH1A1SMN1; SMN2HCAR2
SCHEMBL2517851 0.84 SELP (0.56) CASRLTA4HALDH1A1SMN1; SMN2KDM4E
SCHEMBL11038416 0.83 LTA4H (0.61) LTA4HALDH1A1SMN1; SMN2HCAR2KDM4E
SCHEMBL6003048 0.82 CASR (0.64) CASRLTA4HALDH1A1SMN1; SMN2HCAR2
SCHEMBL178162 0.82 CASR (0.64) CASRLTA4HALDH1A1SMN1; SMN2HCAR2
SCHEMBL24074614 0.82 CASR (0.55) CASRALDH1A1SMN1; SMN2HCAR2KDM4E
SCHEMBL177265 0.81 LTA4H (0.52) CASRLTA4HHCAR2
SCHEMBL14471819 0.81 CASR (1.00) CASRALDH1A1KDM4E
SCHEMBL11417243 0.77 LTA4H (0.53) CASRLTA4HKDM4ETSHRHSD17B10
SCHEMBL176775 0.73 LTA4H (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 686/4885ALDH1A1 796/4885

“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.