SCHEMBL13053347

SCHEMBL13053347

CC(=O)N[C@@]1(C)CCC1COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
ENPP2 Q13822 2/20 0.37
PKM P14618 2/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL13053369 0.79
SCHEMBL30565480 0.78 STAT3 (0.39) STAT3ALDH1A1POLBTP53ENPP3
SCHEMBL20014121 0.78 STAT3 (0.39) STAT3ALDH1A1POLBTP53ENPP3
SCHEMBL15197306 0.75 ALDH1A1 (0.35) STAT3ALDH1A1POLBTP53ENPP3
SCHEMBL20569464 0.74 SMN1; SMN2 (0.39) STAT3ALDH1A1POLBTP53ENPP3
SCHEMBL15197303 0.74 CYP2D6 (0.34) STAT3ALDH1A1KMT2ACYP2C9CYP3A4
SCHEMBL21987509 0.73 STAT3 (0.41) STAT3ALDH1A1POLBTP53ENPP3
SCHEMBL21987513 0.73 STAT3 (0.41) STAT3ALDH1A1POLBTP53ENPP3
SCHEMBL15197307 0.73 CYP2D6 (0.34) STAT3ALDH1A1ENPP3ENPP1ENPP2
SCHEMBL20014131 0.73 KMT2A (0.40) STAT3ALDH1A1POLBTP53ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7837982-B2 Imaging agents EMORY UNIVERSITY (US) 2010-11-23 US disclosed
US-20070082879-A1 Imaging Agents EMORY UNIVERSITY (US) 2007-04-12 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-20070082879-A1 Imaging Agents SLC7A1, SSTR1, SSTR3 STAT3 3976/4885ALDH1A1 3166/4885POLB 1552/4885

“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.