SCHEMBL18153376

SCHEMBL18153376

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
KMT2A Q03164 4/20 0.46
SCN9A Q15858 1/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.41
HSD11B1 P28845 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 1/20 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
SCHEMBL18153399 0.91 PKM (0.57) PKMKMT2ASCN9AMEN1LMNA
SCHEMBL18153379 0.90 PKM (0.46) PKMKMT2ASCN9AMEN1LMNA
SCHEMBL18162467 0.89 KMT2A (0.51) PKMKMT2ASCN9AMAPTHSD11B1
SCHEMBL18162545 0.87 KMT2A (0.58) PKMKMT2AMEN1LMNASMN1; SMN2
SCHEMBL23197959 0.86 PKM (0.46) PKMKMT2AMEN1LMNASMN1; SMN2
SCHEMBL18153283 0.86 PKM (0.46) PKMKMT2AMEN1LMNASMN1; SMN2
SCHEMBL18153281 0.86 PKM (0.46) PKMKMT2AMEN1LMNASMN1; SMN2
SCHEMBL18153310 0.86 MAPT (0.50) PKMKMT2AHTTMAPT
SCHEMBL18162490 0.86 KMT2A (0.57) PKMKMT2ASCN9ALMNAMAPT
SCHEMBL18153337 0.85 KMT2A (0.51) PKMKMT2AMEN1LMNASMN1; SMN2

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 4360/4885KMT2A 4450/4885SCN9A 4712/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS PKM 4360/4885KMT2A 4450/4885SCN9A 4712/4885

“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.