SCHEMBL20456955

SCHEMBL20456955

Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 15/20 0.73
PKLR P30613 8/20 0.72
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
HTT P42858 1/20 0.63
GAA P10253 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL19871299 1.00 PKM (0.73) PKMPKLRALDH1A1POLBHTT
SCHEMBL19871301 0.85 PKM (0.79) PKMPKLRALDH1A1POLBTDP1
SCHEMBL2239830 0.85 PKM (1.00) PKMPKLRPOLBTDP1
SCHEMBL17800944 0.84 PKM (0.74) PKMPKLRTDP1
SCHEMBL12354639 0.84 PKM (1.00) PKMPKLRTDP1
SCHEMBL17808925 0.84 PKM (1.00) PKMPKLRALDH1A1HTT
SCHEMBL29945828 0.84 PKM (1.00) PKMPKLRALDH1A1HTT
SCHEMBL1725495 0.84 PKM (1.00) PKMPKLRALDH1A1HTT
SCHEMBL19871300 0.84 PKM (1.00) PKMPKLRALDH1A1HTT
SCHEMBL10724066 0.83 PKM (0.88) PKMALDH1A1POLBHTTGAA

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-10039844-B2 Imaging tumor glycolysis by non-invasive measurement of pyruvate kinase M2 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-08-07 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-10039844-B2 Imaging tumor glycolysis by non-invasive measurement of pyruvate kinase M2 PDK2, PDK3, PDK1 PKM 5/4885PKLR 19/4885ALDH1A1 1908/4885

“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.