SCHEMBL9968041

SCHEMBL9968041

C=C(COC(C)=O)S(=O)(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL9182485 0.82
SCHEMBL7155237 0.82
SCHEMBL8914476 0.74 EGLN1 (0.34)
SCHEMBL9185220 0.74
Glycine SCHEMBL9177787 0.74 GLRA1 (0.31)
SCHEMBL19645331 0.74 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNATDP1FAAH
SCHEMBL9177792 0.73
SCHEMBL8916896 0.73
Fluoride SCHEMBL9177797 0.73 EGLN1 (0.33)
SCHEMBL621638 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013115813-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM CORPORATION (US) 2013-08-08 WO disclosed
US-20120157563-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM CORPORATION (US) 2012-06-21 US disclosed
US-20120041173-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM CORPORATION (US) 2012-02-16 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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 (3 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-20120157563-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS SPAST, DNPEP, SSU72 ALDH1A1 2427/4885HSD17B10 3462/4885LMNA 1515/4885
US-20120041173-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS ADH1C, SSU72, ADH1A ALDH1A1 1206/4885HSD17B10 2838/4885LMNA 1372/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 348/4885HSD17B10 283/4885LMNA 2412/4885

“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.