SCHEMBL20143013

SCHEMBL20143013

Nc1nc2c(ncn2[C@@H]2O[C@H](COS(=O)(=O)OS(=O)(=O)O)[C@@H](O)[C@H]2S)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 8/20 0.59
NT5E P21589 1/20 0.55
PNP P00491 1/20 0.54
KRAS P01116 6/20 0.53
GSK3A P49840 2/20 0.52
RPS6KA3 P51812 2/20 0.52
MAPK14 Q16539 2/20 0.52
TGM2 P21980 1/20 0.51
IMPDH2 P12268 1/20 0.47

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
SCHEMBL2674769 0.85 HINT1 (0.72) HINT1NT5EPNPKRASGSK3A
SCHEMBL2675383 0.85 HINT1 (0.72) HINT1NT5EPNPKRASGSK3A
SCHEMBL10001265 0.85 HINT1 (0.72) HINT1NT5EPNPKRASGSK3A
SCHEMBL21350963 0.82 HPGD (0.62) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL16569029 0.82 HPGD (0.62) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL23813666 0.82 HPGD (0.62) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL16569039 0.82 HPGD (0.62) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL2680046 0.81 HINT1 (0.61) HINT1NT5EPNPKRASGSK3A
SCHEMBL2675390 0.80 HINT1 (0.71) HINT1NT5EPNPKRASGSK3A
SCHEMBL27575151 0.80 HINT1 (0.74) HINT1NT5EPNPKRASGSK3A

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
EP-3538100-A2 COMBINATION OF A BRD4 INHIBITOR AND AN ANTIFOLATE FOR THE THERAPY OF CANCER CeMM - Forschungszentrum für Molekulare Medizin GmbH (AT) 2019-09-18 EP disclosed
US-20190262355-A1 COMBINATION OF A BRD4 INHIBITOR AND AN ANTIFOLATE FOR THE THERAPY OF CANCER CEMM-FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2019-08-29 US disclosed
WO-2018087401-A2 COMBINATION OF A BRD4 INHIBITOR AND AN ANTIFOLATE FOR THE THERAPY OF CANCER CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2018-05-17 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 (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-20190262355-A1 COMBINATION OF A BRD4 INHIBITOR AND AN ANTIFOLATE FOR THE THERAPY OF CANCER BRD4, MTHFD1, BICRA HINT1 2414/4885NT5E 2662/4885PNP 3330/4885

“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.