SCHEMBL1677160

SCHEMBL1677160

O=C(NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
LIPE Q05469 1/20 0.53
EPHX1 P07099 2/20 0.50
ADRB3 P13945 1/20 0.49
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
PRCP P42785 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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 0.84 EPHX1 (0.62) EPHX2LIPEEPHX1LMNAKMT2A
SCHEMBL1677146 0.83 EPHX2 (0.55) EPHX2LIPEEPHX1MMP2MMP13
SCHEMBL1676966 0.83 NPC1 (0.56) EPHX2NPC1RAB9ALIPEEPHX1
SCHEMBL1677076 0.81 EPHX2 (0.66) EPHX2RAB9ALIPEEPHX1TSHR
SCHEMBL1677174 0.81 EPHX2 (0.63) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL1677178 0.81 EPHX2 (0.64) EPHX2LIPEEPHX1MMP2MMP13
SCHEMBL1677281 0.80 EPHX2 (0.62) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL1676975 0.80 EPHX2 (0.56) EPHX2LIPEEPHX1LMNAMEN1
SCHEMBL1677075 0.80 EPHX2 (0.56) EPHX2LIPEEPHX1MMP2MMP13
SCHEMBL1677039 0.80 EPHX2 (0.56) EPHX2LIPEEPHX1MEN1KMT2A

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 4 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
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

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

“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.