SCHEMBL1677033

SCHEMBL1677033

COc1ccc(CNC(=O)NOC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.54
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX2 P34913 2/20 0.50
EPHX1 P07099 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL1677091 0.92 POLB (0.52) PKMALDH1A1POLBKMT2AEPHX2
SCHEMBL1677076 0.87 EPHX2 (0.66) PKMALDH1A1GAAKMT2AEPHX2
SCHEMBL1677129 0.86 ALDH1A1 (0.48) PKMALDH1A1POLBKMT2AEPHX2
SCHEMBL1677131 0.86 ALDH1A1 (0.48) PKMALDH1A1POLBKMT2AEPHX2
SCHEMBL1676985 0.85 EPHX2 (0.52) PKMKMT2AEPHX2EPHX1SMN1; SMN2
SCHEMBL1677213 0.85 EPHX2 (0.53) PKMKMT2AEPHX2EPHX1SMN1; SMN2
SCHEMBL1677127 0.85 EPHX2 (0.53) PKMKMT2AEPHX2EPHX1
SCHEMBL1677090 0.84 EPHX2 (0.52) ALDH1A1KMT2AEPHX2EPHX1SMN1; SMN2
SCHEMBL1677124 0.83 EPHX2 (0.52) EPHX2EPHX1
SCHEMBL1677133 0.83 EPHX2 (0.52) KMT2AEPHX2EPHX1

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 PKM 3198/4885ALDH1A1 2177/4885POLB 4191/4885

“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.