SCHEMBL17822264

SCHEMBL17822264

CC(=O)Nc1ccc(C=Cc2ccc(NC(=S)NC(C)C)cc2S(=O)(=O)O)c(S(N)(=O)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.62
RAD51 Q06609 2/20 0.44
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.42
APEX1 P27695 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLK1 P53350 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 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
SCHEMBL17822263 1.00 ENPP2 (0.62) ENPP2RAD51CA1CA2KDM4E
SCHEMBL19713072 0.96 ENPP2 (0.54) ENPP2RAD51CA1CA2KDM4E
SCHEMBL17830431 0.96 ENPP2 (0.54) ENPP2RAD51CA1CA2KDM4E
SCHEMBL14358597 0.94 ENPP2 (0.69) ENPP2RAD51CA1CA2KDM4E
SCHEMBL14358601 0.94 ENPP2 (0.69) ENPP2RAD51CA1CA2KDM4E
SCHEMBL19713085 0.89 ENPP2 (0.62) ENPP2RAD51CA1CA2KDM4E
SCHEMBL19713084 0.89 ENPP2 (0.62) ENPP2RAD51CA1CA2KDM4E
SCHEMBL14361673 0.89 ENPP2 (0.58) ENPP2RAD51CA1CA2KDM4E
SCHEMBL14361680 0.89 ENPP2 (0.58) ENPP2RAD51CA1CA2KDM4E
SCHEMBL22619506 0.88 ENPP2 (0.47) ENPP2RAD51CA1CA2KDM4E

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 5 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
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
EP-3229793-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE The Jackson Laboratory (US) 2017-10-18 EP 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 35/4885CA1 401/4885
US-10927075-B2 Compositions and methods relating to the treatment of cancer, autoimmune disease, and neurodegenerative disease OGG1, MGMT, TDP1 ENPP2 225/4885RAD51 35/4885CA1 401/4885

“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.