SCHEMBL3598014

SCHEMBL3598014

Nc1ccc(N2CCS(=O)(=O)CC2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
ABHD6 Q9BV23 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
KMT2A Q03164 2/20 0.41
SOS1 Q07889 1/20 0.41
HSD11B1 P28845 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
PTK2B Q14289 1/20 0.40
ALDH1A1 P00352 2/20 0.39
FAAH O00519 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
S100B P04271 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL2053813 0.82 GAA (0.51) SIRT6KDM4EKMT2AGAAMAPT
SCHEMBL962246 0.82 HTT (0.56) SIRT6KDM4EKMT2AGAAMAPT
SCHEMBL30340643 0.81 GAA (0.61) SIRT6KDM4EKMT2AGAAMAPT
SCHEMBL13068417 0.81 GAA (0.61) SIRT6KDM4EKMT2AGAAMAPT
SCHEMBL2012912 0.81 HTT (0.59) SIRT6KDM4EKMT2AGAAMAPT
SCHEMBL3598011 0.80 ABHD6 (0.46) SIRT6ABHD6KDM4ECDK1CDK2
SCHEMBL9362583 0.78 HTR3E (0.54) MAPTHTTRECQLALDH1A1
SCHEMBL14419496 0.78 LGMN (0.63) SIRT6KDM4EKMT2AGAAMAPT
SCHEMBL2012672 0.78 LGMN (0.61) KDM4EKMT2AMAPTMAPK1HTT
SCHEMBL14419526 0.76 GAA (0.58) SIRT6ABHD6KDM4ECDK1CDK2

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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed

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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS SIRT6 2832/4885ABHD6 3870/4885KDM4E 3893/4885

“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.