SCHEMBL2133804

SCHEMBL2133804

CCCc1c(CCCC(=O)OCC)cccc1C(=N)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP4Z1 Q86W10 2/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
DRD2 P14416 1/20 0.38
CNR1 P21554 2/20 0.37
NLRP3 Q96P20 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL3419440 0.79 CYP4F2 (0.47) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL2135339 0.77 CNR2 (0.40) USP2HSD17B10CNR1
SCHEMBL1420481 0.75 SMN1; SMN2 (0.55) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL2135834 0.75 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL3415938 0.75 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL1014258 0.74 CYP1A2 (0.41) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL2122563 0.73 CYP1A2 (0.41) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL7347943 0.72 CYP4F2 (0.62) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL2133732 0.71 CYP4F2 (0.55) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL11659499 0.71 CYP4F2 (0.57) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6

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
EP-2445891-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010148649-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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 CYP4F2 1427/4885CYP4A11 571/4885CYP1A2 2262/4885

“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.