SCHEMBL18153310

SCHEMBL18153310

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.49
PTGDR Q13258 8/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
USP2 O75604 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
SCHEMBL18153388 0.91 KMT2A (0.47) MAPTKMT2ANPSR1PKMNPC1
SCHEMBL18153271 0.90 NPSR1 (0.62) MAPTKMT2ANPSR1PKMNPC1
SCHEMBL18153395 0.89 PKM (0.58) MAPTKMT2APTGDRNPSR1PKM
SCHEMBL18162456 0.89 NPC1 (0.53) MAPTKMT2ANPSR1PKMNPC1
SCHEMBL18153361 0.88 KMT2A (0.49) MAPTKMT2APKMPTGDR2TSHR
SCHEMBL18162545 0.88 KMT2A (0.58) MAPTKMT2APKMHTT
SCHEMBL18162469 0.87 KMT2A (0.49) MAPTKMT2ANPSR1PKMNPC1
SCHEMBL18162548 0.87 KMT2A (0.49) MAPTKMT2ANPSR1PKMNPC1
SCHEMBL18162556 0.87 KMT2A (0.49) MAPTKMT2ANPSR1PKMNPC1
SCHEMBL23197972 0.87 PKM (0.45) MAPTKMT2APTGDRNPSR1PKM

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 MAPT 4486/4885KMT2A 4450/4885PTGDR 3527/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS MAPT 4486/4885KMT2A 4450/4885PTGDR 3527/4885

“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.