SCHEMBL4188739

SCHEMBL4188739

CC(=O)N1CCN(C(=O)C[S+]([O-])Cc2ccccc2N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
GFER P55789 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CASP6 P55212 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGFR P00533 1/20 0.36
TYMS P04818 1/20 0.36
LTA4H P09960 1/20 0.36
VDR P11473 1/20 0.36
SRC P12931 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4188735 0.85 GLA (0.38) GLAALDH1A1KMT2AMEN1GFER
SCHEMBL2209548 0.75 HRH4 (0.38) GLAALDH1A1KMT2AMEN1GFER
SCHEMBL2418127 0.75 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1LMNAHPGD
SCHEMBL2418209 0.74 MAPT (0.54) ALDH1A1KMT2AMEN1GFERLMNA
SCHEMBL2418698 0.74 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1GFERLMNA
SCHEMBL2412829 0.73 SSTR3 (0.40) KMT2A
SCHEMBL2417712 0.72 NPC1 (0.46) KMT2AMEN1LMNAHTT
SCHEMBL15231529 0.70 ALOX15 (0.41) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL2962428 0.69 EGFR (0.39) GLAALDH1A1KMT2ALMNAMAPT
SCHEMBL2420011 0.69 LMNA (0.39) ALDH1A1KMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071604-B2 Thio-substituted arylmethanesulfinyl derivatives CEPHALON FRANCE (FR) 2011-12-06 US disclosed
US-20090018143-A1 Thio-substituted arylmethanesulfinyl derivatives CEPHALON, INC. (US) 2009-01-15 US disclosed
US-7297817-B2 Thio-substituted arylmethanesulfinyl derivatives CEPHALON FRANCE (FR) 2007-11-20 US disclosed
US-20050256133-A1 Thio-substituted arylmethanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-11-17 US disclosed
EP-1586560-A1 Thio-substituted arylmethanesulfinyl derivatives CEPHALON, INC. (US) 2005-10-19 EP 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-20050256133-A1 Thio-substituted arylmethanesulfinyl derivatives HTR1A, SLC6A3, HTR3B GLA 4156/4885ALDH1A1 1617/4885KMT2A 948/4885
US-20090018143-A1 Thio-substituted arylmethanesulfinyl derivatives HTR1A, SLC6A3, HTR3B GLA 4156/4885ALDH1A1 1617/4885KMT2A 948/4885

“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.