SCHEMBL15318686

SCHEMBL15318686

COCCC(C(=O)OC)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.36
CA12 O43570 3/20 0.34
RECQL P46063 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PHGDH O43175 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA9 Q16790 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PTPRB P23467 1/20 0.32
CA7 P43166 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL13192452 0.82 CA2 (0.42) CA14CA12RECQLCA1CA2
SCHEMBL18929976 0.80 CA14 (0.36) CA14CA12RECQLCA1CA2
SCHEMBL28125570 0.80 CA14 (0.36) CA14CA12RECQLCA1CA2
SCHEMBL1119855 0.80 CA14 (0.36) CA14CA12RECQLCA1CA2
SCHEMBL13631860 0.80 CA14 (0.36) CA14CA12RECQLCA1CA2
SCHEMBL26714018 0.78 CA14 (0.35) CA14CA12RECQLCA1CA2
SCHEMBL21012368 0.77 ALDH1A1 (0.42) CA12RECQLCA1CA2CA9
SCHEMBL13978750 0.77 CA2 (0.41) CA14CA12RECQLCA1CA2
SCHEMBL15381953 0.77 TP53 (0.33) CA14CA12CA1CA2CA9
SCHEMBL11421265 0.76

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-20130269568-A1 DERIVATIVES FOR PERFLUOROALKOXY SULFOSUCCINATES AS SURFACTANTS MERCK PATENT GMBH (DE) 2013-10-17 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-20130269568-A1 DERIVATIVES FOR PERFLUOROALKOXY SULFOSUCCINATES AS SURFACTANTS PFAS, SFXN3, FGB CA14 1187/4885CA12 1526/4885RECQL 3443/4885

“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.