SCHEMBL1134065

SCHEMBL1134065

CCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CCCNC(C)CCS(=O)(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GRK2 P25098 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.36
ENPP2 Q13822 3/20 0.34
PLA2G2A P14555 3/20 0.34
PLA2G5 P39877 3/20 0.34
FAAH O00519 2/20 0.33
MAPK1 P28482 1/20 0.33
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33

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
SCHEMBL18941422 0.82 EPHX2 (0.41) MEN1KMT2ALMNAPOLBGRK2
SCHEMBL29708102 0.80 EPHX2 (0.44) LMNAEPHX2MAPK1
SCHEMBL1133855 0.72 FAAH (0.45) MEN1KMT2ALMNAPOLBGRK2
SCHEMBL8768750 0.71 CES2 (0.44) MEN1KMT2ALMNAPOLBGRK2
SCHEMBL21518434 0.71 S1PR2 (0.43) EPHX2
SCHEMBL21518401 0.71 S1PR2 (0.43) EPHX2
SCHEMBL21623897 0.71 S1PR2 (0.43) EPHX2
SCHEMBL21623884 0.71 S1PR2 (0.43) EPHX2
Hydrochloric Acid SCHEMBL28345403 0.70 CES2 (0.48) MEN1KMT2ACES2CES1
SCHEMBL21518394 0.69 TP53 (0.44) EPHX2

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-20110071100-A1 SULFOBETAINES FOR CANCER, OBESITY, MACULAR DEGENERATION, NEURODEGENERATIVE DISEASES TILTAN PHARMA LTD. (IL) 2011-03-24 US disclosed
EP-2285369-A2 SULFOBETAINES FOR CANCER, OBESITY, MACULAR DEGENERATION, NEURODEGENERATIVE DISEASES Tiltan Pharma Ltd (IL) 2011-02-23 EP disclosed
WO-2009136396-A2 SULFOBETAINES FOR THERAPY TILTAN PHARMA LTD. (IL) 2009-11-12 WO 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-20110071100-A1 SULFOBETAINES FOR CANCER, OBESITY, MACULAR DEGENERATION, NEURODEGENERATIVE DISEASES MSRB3, BHMT2, GPR119 MEN1 1322/4885KMT2A 1510/4885LMNA 3267/4885

“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.