SCHEMBL18134604

SCHEMBL18134604

O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.83
TSHR P16473 2/20 0.83
PKM P14618 10/20 0.81
MEN1 O00255 3/20 0.79
KMT2A Q03164 3/20 0.79
LMNA P02545 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
PKLR P30613 1/20 0.74
HTT P42858 1/20 0.74
RAB9A P51151 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ATM Q13315 1/20 0.65

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
SCHEMBL3169939 0.93 MCOLN3 (0.97) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL15014129 0.92 PKM (0.89) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL3814970 0.91 MCOLN3 (1.00) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL30821997 0.91 MCOLN3 (1.00) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL5734563 0.90 MCOLN3 (0.69) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL13151736 0.89 PKM (0.71) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL20021982 0.88 PKM (0.89) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL12655865 0.88 MCOLN3 (0.71) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL1048996 0.88 MCOLN3 (0.71) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL29483657 0.88 PKM (0.89) MCOLN3TSHRPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 US disclosed
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 US disclosed
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 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 (2 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-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 MCOLN3 3263/4885TSHR 4049/4885PKM 2210/4885
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus SIRT1, SIRT2, SIRT7 MCOLN3 3263/4885TSHR 4049/4885PKM 2210/4885

“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.