SCHEMBL1677131

SCHEMBL1677131

O=C(NCc1ccc(F)cc1)NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.48
DPP4 P27487 1/20 0.48
NAMPT P43490 1/20 0.48
LIPE Q05469 3/20 0.46
EPHX2 P34913 3/20 0.46
EPHX1 P07099 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TRPA1 O75762 1/20 0.44
PKM P14618 1/20 0.44
SLC13A5 Q86YT5 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
SCHEMBL1677129 1.00 ALDH1A1 (0.48) ALDH1A1POLBTP53DPP4NAMPT
SCHEMBL1677091 0.95 POLB (0.52) ALDH1A1POLBTP53NAMPTLIPE
SCHEMBL1677033 0.86 PKM (0.54) ALDH1A1POLBEPHX2EPHX1KMT2A
SCHEMBL1677020 0.86 EPHX2 (0.58) DPP4NAMPTLIPEEPHX2EPHX1
SCHEMBL1677021 0.86 EPHX2 (0.58) DPP4NAMPTLIPEEPHX2EPHX1
SCHEMBL1677172 0.82 TP53 (0.50) ALDH1A1POLBTP53MEN1KMT2A
SCHEMBL1677122 0.82 TP53 (0.50) ALDH1A1POLBTP53MEN1KMT2A
SCHEMBL1677121 0.82 TP53 (0.50) ALDH1A1POLBTP53MEN1KMT2A
SCHEMBL1677174 0.81 EPHX2 (0.63) ALDH1A1NAMPTLIPEEPHX2EPHX1
SCHEMBL1677127 0.80 EPHX2 (0.53) DPP4LIPEEPHX2EPHX1MEN1

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 3 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

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 ALDH1A1 2177/4885POLB 4191/4885TP53 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.