SCHEMBL2810663

SCHEMBL2810663

N#Cc1cccc(C(=NOC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
LIPE Q05469 1/20 0.44
GPR6 P46095 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SFRP1 Q8N474 1/20 0.40
EPHX1 P07099 2/20 0.40
TP53 P04637 1/20 0.39
AKR1C3 P42330 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
LMNA P02545 1/20 0.38
CCR6 P51684 1/20 0.37

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
SCHEMBL2810661 1.00 EPHX2 (0.44) EPHX2LIPEGPR6MEN1KMT2A
SCHEMBL8118131 1.00 EPHX2 (0.44) EPHX2LIPEGPR6MEN1KMT2A
SCHEMBL2811084 0.89 MEN1 (0.44) EPHX2LIPEGPR6MEN1KMT2A
SCHEMBL2811082 0.89 MEN1 (0.44) EPHX2LIPEGPR6MEN1KMT2A
SCHEMBL2811085 0.89 MEN1 (0.44) EPHX2LIPEGPR6MEN1KMT2A
SCHEMBL13167769 0.88 LMNA (0.41) EPHX2SFRP1AKR1C3LMNACCR6
SCHEMBL13130723 0.85 EPHX2 (0.44) EPHX2LIPEMEN1KMT2AEPHX1
SCHEMBL3637085 0.83 MGLL (0.34) EPHX2
SCHEMBL1677066 0.81 GPR6 (0.48) EPHX2LIPEGPR6MEN1KMT2A
SCHEMBL2808569 0.80 MEN1 (0.45) EPHX2LIPEGPR6MEN1KMT2A

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
US-8563732-B2 Oxyimino compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2013-10-22 US disclosed
EP-2164325-B1 OXYIMINO COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-04-24 EP disclosed
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2010-09-23 US disclosed
EP-2164325-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF Shionogi&Co., Ltd. (JP) 2010-03-24 EP disclosed
WO-2008150470-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-12-11 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-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF CACNA1A, CACNA1S, OPRM1 EPHX2 653/4885LIPE 4133/4885GPR6 553/4885

“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.