SCHEMBL18153399

SCHEMBL18153399

Cc1cc(Nc2ccc(F)cc2)nc(N2CCN(S(=O)(=O)c3ccc(OC(C)(C)C(=O)O)cc3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
KMT2A Q03164 3/20 0.51
CCNE1 P24864 6/20 0.51
CDK2 P24941 6/20 0.51
MAPK1 P28482 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SCN9A Q15858 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41

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
SCHEMBL18153376 0.91 PKM (0.47) PKMKMT2ACCNE1CDK2LMNA
SCHEMBL20042132 0.91 PKM (0.62) PKMKMT2ACCNE1CDK2MAPK1
SCHEMBL18161130 0.90 PKM (0.54) PKMKMT2ACCNE1CDK2MAPK1
SCHEMBL20042181 0.89 PKM (0.62) PKMKMT2ACCNE1CDK2MAPK1
SCHEMBL18162530 0.87 PKM (0.76) PKMKMT2ACCNE1CDK2MAPK1
SCHEMBL18087227 0.86 KMT2A (0.70) PKMKMT2ACCNE1CDK2MAPK1
SCHEMBL20042145 0.86 PKM (0.58) PKMKMT2ACCNE1CDK2MAPK1
SCHEMBL18153395 0.86 PKM (0.58) PKMKMT2ACCNE1CDK2HSD17B10
SCHEMBL18153301 0.85 PKM (0.65) PKMKMT2ACCNE1CDK2LMNA
SCHEMBL23197973 0.85 PKM (0.57) PKMKMT2ACCNE1CDK2MAPK1

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 4360/4885KMT2A 4450/4885CCNE1 3278/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS PKM 4360/4885KMT2A 4450/4885CCNE1 3278/4885

“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.