SCHEMBL1677091

SCHEMBL1677091

O=C(NCc1ccc(F)cc1)NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
NAMPT P43490 1/20 0.52
EPHX2 P34913 3/20 0.49
EPHX1 P07099 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 2/20 0.47
SLC13A5 Q86YT5 1/20 0.47
LIPE Q05469 1/20 0.47

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
SCHEMBL1677131 0.95 ALDH1A1 (0.48) POLBALDH1A1TP53NAMPTEPHX2
SCHEMBL1677129 0.95 ALDH1A1 (0.48) POLBALDH1A1TP53NAMPTEPHX2
SCHEMBL1677033 0.92 PKM (0.54) POLBALDH1A1EPHX2EPHX1KMT2A
SCHEMBL1677174 0.86 EPHX2 (0.63) ALDH1A1NAMPTEPHX2EPHX1MEN1
SCHEMBL1677127 0.85 EPHX2 (0.53) EPHX2EPHX1MEN1KMT2APKM
SCHEMBL1677090 0.85 EPHX2 (0.52) ALDH1A1EPHX2EPHX1MEN1KMT2A
SCHEMBL1677124 0.84 EPHX2 (0.52) EPHX2EPHX1LIPE
SCHEMBL1677213 0.84 EPHX2 (0.53) EPHX2EPHX1MEN1KMT2APKM
SCHEMBL1677133 0.84 EPHX2 (0.52) EPHX2EPHX1MEN1KMT2ALIPE
SCHEMBL1677009 0.83 EPHX2 (0.58) POLBALDH1A1EPHX2EPHX1MEN1

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 POLB 4191/4885ALDH1A1 2177/4885TP53 4849/4885

“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.