SCHEMBL13752124

SCHEMBL13752124

Cc1ccc(S(=O)(=O)OC[C@H](COC(=O)C(C)(C)C)[C@@H](C)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
STAT3 P40763 2/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
MAPT P10636 2/20 0.35
PRKCA P17252 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ELANE P08246 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL8911992 0.82 STAT3 (0.40) KMT2AALDH1A1MEN1STAT3HTT
SCHEMBL3109058 0.80 NR1D1 (0.38) KMT2AALDH1A1MEN1STAT3HTT
SCHEMBL7386406 0.77 HTT (0.46) KMT2AALDH1A1MEN1STAT3HTT
SCHEMBL8056281 0.77 GAA (0.42) KMT2AALDH1A1MEN1STAT3HTT
SCHEMBL8911997 0.76 HTT (0.38) KMT2AALDH1A1MEN1STAT3HTT
SCHEMBL26303222 0.76 STAT3 (0.43) KMT2AALDH1A1MEN1STAT3HTT
SCHEMBL8911020 0.75 HTT (0.37) KMT2AALDH1A1MEN1STAT3HTT
SCHEMBL13096089 0.74 STAT3 (0.41) KMT2AALDH1A1MEN1STAT3KDM4E
SCHEMBL6069092 0.74 STAT3 (0.41) KMT2AALDH1A1MEN1STAT3KDM4E
SCHEMBL5625207 0.74 PSMD10 (0.42) KMT2AALDH1A1MEN1STAT3HTT

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-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 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-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 KMT2A 1327/4885ALDH1A1 775/4885MEN1 3773/4885

“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.