SCHEMBL12635211

SCHEMBL12635211

COC(=O)C(CS)NC(=O)c1cccc(C(=O)NC(CS)C(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.54
FNTB P49356 2/20 0.54
ALDH1A1 P00352 1/20 0.50
TAS1R3 Q7RTX0 12/20 0.48
TAS1R1 Q7RTX1 12/20 0.48
LNPEP Q9UIQ6 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL12181830 1.00 FNTA (0.54) FNTAFNTBALDH1A1TAS1R3TAS1R1
SCHEMBL2328119 0.89 GAA (0.54) FNTAFNTBALDH1A1TAS1R3TAS1R1
SCHEMBL2328123 0.89 GAA (0.54) FNTAFNTBALDH1A1TAS1R3TAS1R1
SCHEMBL12574370 0.88 TAS1R3 (0.47) FNTAFNTBALDH1A1TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL23152568 0.88 GAA (0.53) FNTAFNTBALDH1A1TAS1R3TAS1R1
SCHEMBL12308202 0.87 TAS1R3 (0.55) TAS1R3TAS1R1LNPEP
SCHEMBL12308246 0.86 TAS1R3 (0.54) TAS1R3TAS1R1LNPEP
SCHEMBL12308123 0.84 TAS1R3 (0.47) FNTAFNTBTAS1R3TAS1R1LNPEP
SCHEMBL12574343 0.83 CA1 (0.47) FNTAFNTBALDH1A1TAS1R3TAS1R1
SCHEMBL12636994 0.83 TAS1R3 (0.47) FNTAFNTBALDH1A1TAS1R3TAS1R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575218-B2 Thiol-containing compounds for the removal of elements from tissues and formulations therefor THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-11-05 US disclosed
US-20110160150-A1 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM TISSUES AND FORMULATIONS THEREFOR THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-06-30 US 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-20110160150-A1 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM TISSUES AND FORMULATIONS THEREFOR SLC39A11, TST, SLC39A14 FNTA 2618/4885FNTB 2013/4885ALDH1A1 348/4885

“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.