SCHEMBL17830249

SCHEMBL17830249

CNS(=O)(=O)c1cc(NC(C)=O)ccc1/C=C/c1ccc(NC(=S)NC(C)C)cc1S(=O)(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
RAD51 Q06609 2/20 0.47
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 1/20 0.45
APEX1 P27695 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GSTO1 P78417 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL19713037 1.00 ENPP2 (0.53) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL17830247 0.91 ENPP2 (0.51) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL17830394 0.91 ENPP2 (0.53) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL19713069 0.91 ENPP2 (0.53) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL19726892 0.89 KDM4E (0.48) ENPP2RAD51KDM4ERAB9AALDH1A1
SCHEMBL14358597 0.88 ENPP2 (0.69) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL14358601 0.88 ENPP2 (0.69) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL17830431 0.87 ENPP2 (0.54) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL19713072 0.87 ENPP2 (0.54) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL17830432 0.87 ENPP2 (0.68) ENPP2RAD51KDM4ERAB9AAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927075-B2 Compositions and methods relating to the treatment of cancer, autoimmune disease, and neurodegenerative disease THE JACKSON LABORATORY (US) 2021-02-23 US disclosed
US-10927075-B2 Compositions and methods relating to the treatment of cancer, autoimmune disease, and neurodegenerative disease THE JACKSON LABORATORY (US) 2021-02-23 US disclosed
EP-3229793-B1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE JACKSON LAB (US) 2020-11-04 EP disclosed
EP-3229793-B1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE JACKSON LAB (US) 2020-11-04 EP disclosed
US-20170362172-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE THE JACKSON LABORATORY (US) 2017-12-21 US disclosed
US-20170362172-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE THE JACKSON LABORATORY (US) 2017-12-21 US disclosed
US-20170362172-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE THE JACKSON LABORATORY (US) 2017-12-21 US disclosed
WO-2016094897-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE THE JACKSON LABORATORY (US) 2016-06-16 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 (2 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-20170362172-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE OGG1, MGMT, TDP1 ENPP2 225/4885RAD51 35/4885KDM4E 1059/4885
US-10927075-B2 Compositions and methods relating to the treatment of cancer, autoimmune disease, and neurodegenerative disease OGG1, MGMT, TDP1 ENPP2 225/4885RAD51 35/4885KDM4E 1059/4885

“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.