SCHEMBL1677066

SCHEMBL1677066

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.48
EPHX2 P34913 3/20 0.47
LIPE Q05469 1/20 0.47
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
EPHX1 P07099 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SCN9A Q15858 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
SFRP1 Q8N474 1/20 0.42
DPP4 P27487 1/20 0.42
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL12807416 0.87 KMT2A (0.45) EPHX2MEN1KMT2AHCRTR1HCRTR2
SCHEMBL1677026 0.86 EPHX2 (0.53) GPR6EPHX2LIPEEPHX1MEN1
SCHEMBL1677032 0.85 CNR1 (0.49) MEN1KMT2ASFRP1L3MBTL1
SCHEMBL12735419 0.84 EPHX2 (0.47) EPHX2LIPEMMP2MMP13EPHX1
SCHEMBL2811084 0.82 MEN1 (0.44) GPR6EPHX2LIPEMMP2MMP13
SCHEMBL2811082 0.82 MEN1 (0.44) GPR6EPHX2LIPEMMP2MMP13
SCHEMBL2811085 0.82 MEN1 (0.44) GPR6EPHX2LIPEMMP2MMP13
SCHEMBL2810663 0.81 EPHX2 (0.44) GPR6EPHX2LIPEMMP2MMP13
SCHEMBL8118131 0.81 EPHX2 (0.44) GPR6EPHX2LIPEMMP2MMP13
SCHEMBL2810661 0.81 EPHX2 (0.44) GPR6EPHX2LIPEMMP2MMP13

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-8518934-B2 Oxycarbamoyl compounds and the use thereof SHONOGI & CO., LTD. (JP) 2013-08-27 US disclosed
EP-2346820-B1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-02-13 EP disclosed
EP-2346820-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 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-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF CACNA1B, ORAI1, CACNA1I GPR6 487/4885EPHX2 1203/4885LIPE 4459/4885

“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.