SCHEMBL2047865

SCHEMBL2047865

[CH2]CCCS(=O)(=O)CCCCC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.52
FAAH O00519 5/20 0.46
CES1 P23141 5/20 0.42
CES2 O00748 2/20 0.42
CA1 P00915 5/20 0.38
CA9 Q16790 5/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL2515964 0.95 CA2 (0.52) CA2FAAHCES1CES2CA1
SCHEMBL5074174 0.93 CA2 (0.56) CA2FAAHCES1CES2CA1
SCHEMBL5076177 0.93 CA2 (0.56) CA2FAAHCES1CES2CA1
SCHEMBL148338 0.92 CA2 (0.43) CA2FAAHCES1CES2CA1
SCHEMBL5667637 0.90 CA2 (0.52) CA2FAAHCES1CES2ESR1
SCHEMBL7858048 0.88 CA2 (0.50) CA2FAAHCES1CES2CA1
SCHEMBL5387890 0.88 CA2 (0.56) CA2FAAHCES1CES2ESR1
SCHEMBL10587432 0.88 CA2 (0.56) CA2FAAHCES1CES2ESR1
SCHEMBL8957646 0.88 CA2 (0.56) CA2FAAHCES1CES2ESR1
SCHEMBL150724 0.87 CA2 (0.38) CA2FAAHCES1CES2CA1

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-7956182-B2 Process for preparing optically active alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
US-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988071-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOL Kotobuki Pharmaceutical Co., Ltd. (JP) 2008-11-05 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 (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-20090062527-A1 Process for Preparing Optically Active Alcohols ADH1C, ADH1A, ADH5 CA2 2545/4885FAAH 1760/4885CES1 838/4885

“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.