SCHEMBL6005657

SCHEMBL6005657

Cc1c(Cl)cc(NC(=O)OCC(N)C(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.54
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2527127 1.00 CASR (0.54) CASRNPC1CYP1A2CYP2C9HPGD
SCHEMBL14576232 0.91 CASR (0.49) CASRNPC1CYP1A2CYP2C9HPGD
SCHEMBL10168514 0.86 CASR (0.42) CASRNPC1CYP1A2CYP2C9HPGD
SCHEMBL6004389 0.81 CASR (0.55) CASR
SCHEMBL14791465 0.81 CASR (0.55) CASR
SCHEMBL14471624 0.81 CASR (0.74) CASRLMNA
SCHEMBL177362 0.80 CASR (0.69) CASRSLC1A3SLC1A2SLC1A1
SCHEMBL14471691 0.79 CASR (0.67) CASRHPGDMAPT
SCHEMBL14471674 0.79 CASR (0.67) CASRHPGDMAPT
SCHEMBL14471583 0.76 CASR (0.65) CASRLMNA

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 150/4885NPC1 1107/4885CYP1A2 4702/4885

“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.