SCHEMBL19975070

SCHEMBL19975070

CCS(=O)(=O)Oc1cnn(-c2nccs2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PPARG P37231 1/20 0.33
MAPK10 P53779 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SCN9A Q15858 1/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL19975069 0.75 ALDH1A1 (0.35) KMT2AALDH1A1PPARGMAPK10NPSR1
SCHEMBL16547534 0.70 TDO2 (0.39) KMT2AALDH1A1PPARGMAPK10NPSR1
SCHEMBL19975395 0.69 SCN9A (0.45) KMT2AALDH1A1PPARGMAPK10NPSR1
SCHEMBL27681940 0.68 CA12 (0.39) CA12CA2KMT2AALDH1A1PKM
SCHEMBL31517219 0.68 ALDH1A1 (0.39) KMT2AALDH1A1PPARGMAPK10NPSR1
SCHEMBL30061281 0.66 ALDH1A1 (0.40) KMT2AALDH1A1PPARGMAPK10NPSR1
SCHEMBL26388653 0.66 TDP1 (0.34) KMT2AALDH1A1PPARGMAPK10NPSR1
SCHEMBL24221966 0.66 GABRA1 (0.42) KMT2AALDH1A1PPARGMAPK10NPSR1
SCHEMBL19975267 0.66 PDE10A (0.34) KMT2AALDH1A1PPARGMAPK10NPSR1
SCHEMBL16543457 0.66 TRPV1 (0.38) KMT2AALDH1A1PPARGMAPK10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US disclosed
EP-3512845-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2019-07-24 EP disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 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 (3 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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS CA12 3579/4885CA2 4713/4885KMT2A 3876/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS CA12 3579/4885CA2 4713/4885KMT2A 3876/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS CA12 3579/4885CA2 4713/4885KMT2A 3876/4885

“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.