SCHEMBL1676966

SCHEMBL1676966

O=C(NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
EPHX2 P34913 5/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX1 P07099 2/20 0.54
LIPE Q05469 1/20 0.52
NAMPT P43490 8/20 0.49
CYP2C9 P11712 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL1677114 0.89 EPHX1 (0.62) EPHX2LMNAHTTSMN1; SMN2EPHX1
SCHEMBL1676975 0.85 EPHX2 (0.56) EPHX2LMNAHTTSMN1; SMN2EPHX1
SCHEMBL1677039 0.84 EPHX2 (0.56) EPHX2SMN1; SMN2EPHX1LIPECYP1A2
SCHEMBL1677174 0.84 EPHX2 (0.63) EPHX2SMN1; SMN2EPHX1LIPENAMPT
SCHEMBL1677076 0.84 EPHX2 (0.66) RAB9AEPHX2SMN1; SMN2EPHX1LIPE
SCHEMBL1676986 0.84 EPHX2 (0.55) EPHX2LMNAHTTEPHX1LIPE
SCHEMBL1677065 0.84 EPHX2 (0.56) NPC1RAB9AEPHX2LMNAHTT
SCHEMBL1677281 0.83 EPHX2 (0.62) EPHX2SMN1; SMN2EPHX1LIPECYP1A2
SCHEMBL1677160 0.83 EPHX2 (0.54) NPC1RAB9AEPHX2LMNAEPHX1
SCHEMBL1677026 0.82 EPHX2 (0.53) EPHX2LMNAHTTEPHX1LIPE

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 6 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
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 NPC1 963/4885RAB9A 2277/4885EPHX2 1203/4885

“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.