SCHEMBL5845119

SCHEMBL5845119

CCCCCCC1SC(=O)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.64
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 2/20 0.44
CISD1 Q9NZ45 2/20 0.44
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.40
DAGLA Q9Y4D2 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL19542362 1.00 EPHX2 (0.64) EPHX2KDM4ETSHRHTTMAOA
SCHEMBL23641349 1.00 EPHX2 (0.64) EPHX2KDM4ETSHRHTTMAOA
SCHEMBL645409 0.98 EPHX2 (0.62) EPHX2KDM4ETSHRHTTMAOA
SCHEMBL16111819 0.87 EPHX2 (0.73) EPHX2KDM4ETSHRMAPT
SCHEMBL16111818 0.87 EPHX2 (0.73) EPHX2KDM4ETSHRMAPT
SCHEMBL22623764 0.84 TSHR (0.53) EPHX2KDM4ETSHRHTTMAOA
SCHEMBL11169825 0.84 TSHR (0.53) EPHX2KDM4ETSHRHTTMAOA
SCHEMBL4653040 0.83 EPHX2 (0.69) EPHX2TSHRMAPTDAGLA
SCHEMBL13295596 0.83 EPHX2 (0.69) EPHX2TSHRMAPTDAGLA
SCHEMBL3294148 0.83 EPHX2 (0.69) EPHX2TSHRMAPTDAGLA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US claimed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP claimed
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO claimed
US-10927155-B2 Dual inhibitory action peptidomimetic inhibitor for IL-33 and IL-1beta George Mason Research Foundation, Inc. (US) 2021-02-23 US disclosed
US-20190352351-A1 DUAL INHIBITORY ACTION PEPTIDOMIMETIC INHIBITOR FOR IL-33 AND IL-1BETA George Mason Research Foundation, Inc. 2019-11-21 US disclosed
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING (US) 2019-06-11 US disclosed
US-10294222-B2 Benzomorpholine and benzomorpholine-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2019-05-21 US disclosed
US-20180057490-A1 BENZOMORPHOLINE AND BENZOMORPHOLINE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-03-01 US disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 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 (5 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-20180057490-A1 BENZOMORPHOLINE AND BENZOMORPHOLINE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRM1, GRIA4 EPHX2 4095/4885KDM4E 1404/4885TSHR 513/4885
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT EPHX2 969/4885KDM4E 4201/4885TSHR 3903/4885
US-10927155-B2 Dual inhibitory action peptidomimetic inhibitor for IL-33 and IL-1beta IL33, IL1R1, IL1RN EPHX2 1209/4885KDM4E 4645/4885TSHR 801/4885
US-20190352351-A1 DUAL INHIBITORY ACTION PEPTIDOMIMETIC INHIBITOR FOR IL-33 AND IL-1BETA IL33, IL1R1, IL1RN EPHX2 1209/4885KDM4E 4645/4885TSHR 801/4885
US-10294222-B2 Benzomorpholine and benzomorpholine-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction GRM4, GRM1, GRIA4 EPHX2 4095/4885KDM4E 1404/4885TSHR 513/4885

“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.