SCHEMBL2134454

SCHEMBL2134454

CCC(C(=O)O)S(=O)(=O)CCCF

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCLC P48506 1/20 0.32
CA2 P00918 3/20 0.31
MAPK1 P28482 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
SCHEMBL2132834 0.85 MMP2 (0.38) GCLCCA2MAPK1
SCHEMBL2135411 0.84 CA2 (0.40) CA2MAPK1
SCHEMBL2136987 0.83 RNPEP (0.36)
SCHEMBL6577825 0.81 CA2 (0.47) CA2MAPK1
SCHEMBL6577847 0.81 CA2 (0.47) CA2MAPK1
SCHEMBL10868016 0.81 CA2 (0.47) CA2MAPK1
SCHEMBL2135358 0.77 GCLC (0.35) GCLCCA2MAPK1
SCHEMBL7241006 0.77 CHRM1 (0.35) GCLCCA2MAPK1
SCHEMBL2139212 0.76 GABRR1 (0.31)
SCHEMBL1130298 0.76 GCLC (0.31) GCLC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 GCLC 1299/4885CA2 737/4885MAPK1 1590/4885

“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.