SCHEMBL19984532

SCHEMBL19984532

COC(=O)c1ccc2c(c1)NC(=O)C(C)=C(C)S2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 5/20 0.53
POLB P06746 3/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 2/20 0.49
ALOX15 P16050 4/20 0.46
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
FGB P02675 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
SCHEMBL19984566 0.86 POLB (0.52) ALDH1A1LMNATP53POLBTHRB
SCHEMBL29355925 0.80 TP53 (0.78) ALDH1A1LMNATP53POLBTHRB
SCHEMBL4670606 0.80 TP53 (0.78) ALDH1A1LMNATP53POLBTHRB
SCHEMBL9395338 0.78 LMNA (0.58) ALDH1A1LMNATP53POLBTHRB
SCHEMBL17085962 0.78 TP53 (0.59) ALDH1A1LMNATP53POLBTHRB
SCHEMBL29441734 0.78 TP53 (0.59) ALDH1A1LMNATP53POLBTHRB
SCHEMBL21766162 0.75 ALDH1A1 (0.51) ALDH1A1LMNATP53POLBTHRB
SCHEMBL12362362 0.74 ALDH1A1 (0.60) ALDH1A1LMNATP53POLBTHRB
SCHEMBL750896 0.73 ALDH1A1 (1.00) ALDH1A1LMNAPOLBL3MBTL1HTT
SCHEMBL30248834 0.73 ALDH1A1 (1.00) ALDH1A1LMNAPOLBL3MBTL1HTT

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
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
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-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
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US 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 ALDH1A1 3992/4885LMNA 4700/4885TP53 724/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 3992/4885LMNA 4700/4885TP53 724/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 3992/4885LMNA 4700/4885TP53 724/4885

“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.