SCHEMBL1023964

SCHEMBL1023964

C=CCN(F)C(CS)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31

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
SCHEMBL1023965 1.00 ALDH1A1 (0.31) ALDH1A1PTGS1SLC7A11
SCHEMBL1023298 0.85 FOLH1 (0.32)
SCHEMBL1023300 0.85 FOLH1 (0.32)
SCHEMBL4541471 0.80 ALDH1A1 (0.33) ALDH1A1PTGS1SLC7A11
SCHEMBL4541470 0.80 ALDH1A1 (0.33) ALDH1A1PTGS1SLC7A11
SCHEMBL3664276 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL2358767 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL2358765 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL4409628 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL1158205 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015433-A1 Simple preparation of trifluoromethionine and derivatives thereof NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-01-20 US claimed
US-20110015433-A1 Simple preparation of trifluoromethionine and derivatives thereof NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-01-20 US disclosed
US-20110015433-A1 Simple preparation of trifluoromethionine and derivatives thereof NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-01-20 US disclosed
JP-2011006359-A EASY METHOD FOR SYNTHESIZING TRIFLUOROMETHYLMETHIONINE AND DERIVATIVE THEREOF NAGOYA INSTITUTE OF TECHNOLOGY 2011-01-13 JP 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-20110015433-A1 Simple preparation of trifluoromethionine and derivatives thereof CTH, AHCY, CBS ALDH1A1 1367/4885PTGS1 2506/4885SLC7A11 15/4885

“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.