SCHEMBL18153379

SCHEMBL18153379

CCOC(=O)C(C)(C)Oc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(F)cc4)cc(C(F)(F)F)n3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 6/20 0.43
ACHE P22303 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
SCN9A Q15858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCNE1 P24864 1/20 0.40

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
SCHEMBL18161130 0.92 PKM (0.54) PKMNPSR1KMT2AACHEMEN1
SCHEMBL18153376 0.90 PKM (0.47) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL18153271 0.87 NPSR1 (0.62) PKMNPSR1KMT2AACHEMEN1
SCHEMBL18162456 0.86 NPC1 (0.53) PKMNPSR1KMT2AMEN1ALDH1A1
SCHEMBL18162467 0.85 KMT2A (0.51) PKMKMT2AMAPTSCN9A
SCHEMBL18162545 0.83 KMT2A (0.58) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL18162548 0.83 KMT2A (0.49) PKMNPSR1KMT2AMEN1ALDH1A1
SCHEMBL18162469 0.83 KMT2A (0.49) PKMNPSR1KMT2AMEN1ALDH1A1
SCHEMBL18162468 0.83 PKM (0.58) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL18153399 0.83 PKM (0.57) PKMKMT2AMEN1ALDH1A1MAPT

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
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
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 4360/4885NPSR1 4329/4885KMT2A 4450/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS PKM 4360/4885NPSR1 4329/4885KMT2A 4450/4885

“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.