SCHEMBL6137610

SCHEMBL6137610

CCCC[C@H](/C=C\CCCCCCCCCCCCS(N)(=O)=O)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GALR3 O60755 1/20 0.37
EPHX2 P34913 1/20 0.36
CYP3A4 P08684 2/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
PRKCA P17252 1/20 0.35
FAAH O00519 1/20 0.35
SOAT1 P35610 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL6356663 1.00 PDE4D (0.38) PDE4DMEN1KMT2AGALR3EPHX2
SCHEMBL6356665 1.00 PDE4D (0.38) PDE4DMEN1KMT2AGALR3EPHX2
SCHEMBL6354840 0.88 EPHX2 (0.49) PDE4DMEN1KMT2AGALR3EPHX2
SCHEMBL6137635 0.88 EPHX2 (0.49) PDE4DMEN1KMT2AGALR3EPHX2
SCHEMBL6354839 0.88 EPHX2 (0.49) PDE4DMEN1KMT2AGALR3EPHX2
SCHEMBL29259205 0.83 MEN1 (0.50) PDE4DMEN1KMT2AGALR3CYP3A4
SCHEMBL6350885 0.81 PDE4D (0.42) PDE4DMEN1KMT2AGALR3CYP3A4
SCHEMBL6350887 0.81 PDE4D (0.42) PDE4DMEN1KMT2AGALR3CYP3A4
SCHEMBL6350880 0.81 PDE4D (0.42) PDE4DMEN1KMT2AGALR3CYP3A4
SCHEMBL500451 0.81 MEN1 (0.46) PDE4DMEN1KMT2ACYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436252-A4 HYDROXYFATTYSULFONIC ACID ANALOGS TAISHO PHARMACEUTICAL CO LTD (JP) 2005-02-09 EP disclosed
US-20050020680-A1 Hydroxyfattysulfonic acid analogs BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-01-27 US disclosed
EP-1436252-A1 HYDROXYFATTYSULFONIC ACID ANALOGS TAISHO PHARMACEUTICAL CO., LTD (JP) 2004-07-14 EP disclosed
WO-2003024922-A1 HYDROXYFATTYSULFONIC ACID ANALOGS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 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-20050020680-A1 Hydroxyfattysulfonic acid analogs ELANE, HRH2, APEH PDE4D 4214/4885MEN1 2924/4885KMT2A 2708/4885

“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.