SCHEMBL18153350

SCHEMBL18153350

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
CCNE1 P24864 6/20 0.49
CDK2 P24941 6/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 3/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 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
SCHEMBL18153348 0.93 PKM (0.55) PKMCCNE1CDK2KMT2AHSD17B10
SCHEMBL18153395 0.91 PKM (0.58) PKMCCNE1CDK2KMT2AHSD17B10
SCHEMBL20042123 0.91 PKM (0.60) PKMCCNE1CDK2KMT2AHSD17B10
SCHEMBL18153388 0.90 KMT2A (0.47) PKMKMT2AHSD17B10MAPTNPSR1
SCHEMBL20042134 0.89 PKM (0.58) PKMCCNE1CDK2KMT2AHSD17B10
SCHEMBL20042129 0.89 PKM (0.60) PKMCCNE1CDK2KMT2AHSD17B10
SCHEMBL20042135 0.88 PKM (0.59) PKMCCNE1CDK2KMT2AHSD17B10
SCHEMBL18162525 0.88 PKM (0.59) PKMCCNE1CDK2KMT2AHSD17B10
SCHEMBL18162471 0.87 PKM (0.62) PKMCCNE1CDK2KMT2AHSD17B10
SCHEMBL18153353 0.87 PKM (0.57) PKMCCNE1CDK2KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.