SCHEMBL18153326

SCHEMBL18153326

Cc1cc(Nc2ccc(F)cc2)nc(N2CCN(S(=O)(=O)c3cccc(CC(=O)O)c3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
CCNE1 P24864 6/20 0.51
CDK2 P24941 6/20 0.51
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL18153322 0.92 PKM (0.52) PKMCCNE1CDK2KDM4ELMNA
SCHEMBL20042136 0.90 PKM (0.57) PKMCCNE1CDK2KDM4ELMNA
SCHEMBL18153269 0.90 PKM (0.62) PKMCCNE1CDK2KDM4ELMNA
SCHEMBL20042127 0.87 PKM (0.68) PKMCCNE1CDK2KDM4ELMNA
SCHEMBL18087200 0.85 PKM (0.55) PKMCCNE1CDK2KDM4ELMNA
SCHEMBL18162530 0.84 PKM (0.76) PKMCCNE1CDK2KDM4ELMNA
SCHEMBL18087197 0.83 PKM (0.71) PKMCCNE1CDK2KDM4ELMNA
SCHEMBL18162465 0.83 PKM (0.71) PKMCCNE1CDK2KDM4ELMNA
SCHEMBL18087228 0.83 PKM (0.57) PKMCCNE1CDK2KDM4ELMNA
SCHEMBL18153301 0.83 PKM (0.65) PKMCCNE1CDK2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
US-10273228-B2 Hepatitis B viral assembly effectors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-04-30 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS PKM 4360/4885CCNE1 3278/4885CDK2 2981/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS PKM 4360/4885CCNE1 3278/4885CDK2 2981/4885

“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.