SCHEMBL6004427

SCHEMBL6004427

NC(COC(=O)Nc1cccc(S(=O)(=O)O)c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.65
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA12 O43570 6/20 0.43
CA9 Q16790 6/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 1/20 0.40

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
SCHEMBL177145 1.00 CASR (0.65) CASRMAPTLMNAMAPK1HSD17B10
SCHEMBL14575329 0.89 CASR (0.58) CASRLMNAMAPK1CA1CA2
SCHEMBL14471490 0.88 CASR (0.57) CASRLMNAMAPK1CA1CA2
SCHEMBL14471813 0.86 CASR (0.53) CASRMAPTLMNAMAPK1HSD17B10
SCHEMBL11613830 0.79 CASR (0.66) CASRCA1CA2
SCHEMBL30143456 0.79 CASR (1.00) CASRMAPTCA1CA2CA12
SCHEMBL6004419 0.79 CASR (0.66) CASRCA1CA2
SCHEMBL19971763 0.79 CASR (1.00) CASRMAPTCA1CA2CA12
SCHEMBL12329176 0.79 CASR (1.00) CASRMAPTCA1CA2CA12
SCHEMBL28138533 0.78 CASR (1.00) CASRMAPTLMNACA1CA2

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 150/4885MAPT 4181/4885LMNA 4196/4885

“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.