SCHEMBL4902679

SCHEMBL4902679

CS(=O)(=O)OCCCCCCCCCCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
BCHE P06276 5/20 0.45
ACHE P22303 5/20 0.45
MAOB P27338 5/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL24012573 0.94 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL5672847 0.87 MCHR1 (0.45) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL5743428 0.86 MAOB (0.51) BCHEACHEMAOBMAOA
SCHEMBL6041286 0.80 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL23014971 0.80 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8435356 0.80 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5675347 0.79 MAOB (0.49) KDM4ETSHRBCHEACHEMAOB
SCHEMBL5867104 0.79 LMNA (0.56) KDM4ELMNABCHEACHEMAOB
SCHEMBL11673147 0.79 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL2658522 0.78 KDM4E (0.56) KDM4EUSP2ALDH1A1LMNAMMP9

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-20080318255-A1 Fluorescent Labeled Sphingosines BILLICH ANDREAS 2008-12-25 US disclosed
EP-1670807-A1 FLUORESCENT LABELED SPHINGOSINES Novartis AG (CH) 2006-06-21 EP disclosed
WO-2005030780-A1 FLUORESCENT LABELED SPHINGOSINES NOVARTIS AG (CH) 2005-04-07 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-20080318255-A1 Fluorescent Labeled Sphingosines SPHK1, SPHK2, SGPL1 HDAC3 1606/4885HDAC1 1790/4885HDAC2 1614/4885

“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.