SCHEMBL4188735

SCHEMBL4188735

CC(=O)N1CCN(C(=O)C[S+]([O-])Cc2ccccc2C(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PARP1 P09874 3/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.34
TYMS P04818 1/20 0.34

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
SCHEMBL4188739 0.85 GLA (0.42) GLAALDH1A1KMT2AHTTLMNA
SCHEMBL4193735 0.77 KDM4E (0.40) BRD4ALDH1A1KMT2AHTTMEN1
SCHEMBL2418698 0.74 ALDH1A1 (0.51) ALDH1A1KMT2AHTTLMNAMEN1
SCHEMBL2412829 0.73 SSTR3 (0.40) KMT2AKDM4E
SCHEMBL2209548 0.73 HRH4 (0.38) GLAALDH1A1KMT2ALMNAMEN1
SCHEMBL2418127 0.73 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAMEN1HPGD
SCHEMBL27468402 0.73 SIGMAR1 (0.48) BRD4KMT2AMEN1KDM1A
SCHEMBL2418209 0.72 MAPT (0.54) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL2417712 0.70 NPC1 (0.46) KMT2AHTTLMNAMEN1
SCHEMBL2962428 0.68 EGFR (0.39) GLAALDH1A1KMT2ALMNAMAPT

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 7 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
EP-1740535-A1 THIO-SUBSTITUTED METHANESULFINYL DERIVATIVES CEPHALON, INC. (US) 2007-01-10 EP disclosed
US-20050256133-A1 Thio-substituted arylmethanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-11-17 US disclosed
WO-2005100310-A1 THIO-SUBSTITUTED ARYLMETHANESULFINYL DERIVATIVES CEPHALON INC. (US) 2005-10-27 WO 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 4156/4885BRD4 827/4885ALDH1A1 1617/4885
US-20090018143-A1 Thio-substituted arylmethanesulfinyl derivatives HTR1A, SLC6A3, HTR3B GLA 4156/4885BRD4 827/4885ALDH1A1 1617/4885

“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.