SCHEMBL2133552

SCHEMBL2133552

CCOC(=O)CCCCOc1ccc(C#N)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.49
AR P10275 5/20 0.47
BRD4 O60885 1/20 0.46
FFAR1 O14842 1/20 0.46
PDK2 Q15119 2/20 0.46
PTPN1 P18031 3/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH2 P05091 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL25540572 0.83 BRD4 (0.56) TNFBRD4FFAR1PDK2NPC1
SCHEMBL2134115 0.81 PTPN1 (0.53) TNFBRD4FFAR1PDK2PTPN1
SCHEMBL13784760 0.80 AR (0.62) ARTHRATHRB
SCHEMBL7301892 0.79 MMP3 (0.57) BRD4FFAR1PDK2
SCHEMBL5842342 0.79 AR (0.52) ARNPC1RAB9AMAOAMAOB
SCHEMBL6336869 0.78 HDAC1 (0.58) BRD4FFAR1PDK2
SCHEMBL5522757 0.78 HDAC1 (0.58) BRD4FFAR1PDK2
SCHEMBL7605997 0.78 CYP4F2 (0.51) TNFAR
SCHEMBL13367745 0.77 AR (0.59) ARNPC1TP53RAB9AHSD17B10
SCHEMBL8410437 0.77 CYP11B1 (0.47) BRD4FFAR1PDK2ALDH2MAOA

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
EP-2445892-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 TNF 4112/4885AR 1563/4885BRD4 2276/4885

“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.