SCHEMBL18153271

SCHEMBL18153271

CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(F)cc4)cc(C(F)(F)F)n3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.62
TSHR P16473 3/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 4/20 0.53
ATM Q13315 1/20 0.53
PKM P14618 2/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 4/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL18153297 0.91 NPSR1 (0.65) NPSR1TSHRMAPK1MAPTATM
SCHEMBL18162456 0.90 NPC1 (0.53) NPSR1TSHRMAPTPKMKMT2A
SCHEMBL18153310 0.90 MAPT (0.50) NPSR1TSHRMAPTPKMKMT2A
SCHEMBL18162548 0.87 KMT2A (0.49) NPSR1TSHRMAPK1MAPTPKM
SCHEMBL18162469 0.87 KMT2A (0.49) NPSR1TSHRMAPK1MAPTPKM
SCHEMBL18153379 0.87 PKM (0.46) NPSR1MAPTPKMKMT2ANPC1
SCHEMBL18153410 0.86 MAPT (0.51) NPSR1TSHRMAPTPKMKMT2A
SCHEMBL18162553 0.86 KMT2A (0.48) NPSR1TSHRMAPK1MAPTPKM
SCHEMBL18161127 0.85 KMT2A (0.49) NPSR1MAPTPKMKMT2ANPC1
SCHEMBL18153388 0.84 KMT2A (0.47) NPSR1MAPTPKMKMT2ANPC1

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
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 NPSR1 4329/4885TSHR 4172/4885MAPK1 3314/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS NPSR1 4329/4885TSHR 4172/4885MAPK1 3314/4885

“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.