SCHEMBL19984566

SCHEMBL19984566

CC1=C(C)C(=O)Nc2cc(C(=O)O)ccc2S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.51
MAPT P10636 6/20 0.46
TP53 P04637 5/20 0.46
HPGD P15428 1/20 0.45
NOX1 Q9Y5S8 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MCL1 Q07820 2/20 0.45
MEN1 O00255 1/20 0.44
CYBB P04839 1/20 0.44
APP P05067 1/20 0.44
ALOX15 P16050 1/20 0.44
SNCA P37840 1/20 0.44
KMT2A Q03164 1/20 0.44
NOX3 Q9HBY0 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
SCHEMBL19984532 0.86 ALDH1A1 (0.58) POLBSMN1; SMN2HTTMAPTTP53
SCHEMBL29441735 0.79 TP53 (0.58) POLBSMN1; SMN2HTTMAPTTP53
SCHEMBL17085854 0.79 TP53 (0.58) POLBSMN1; SMN2HTTMAPTTP53
SCHEMBL28481360 0.79 NOX1 (0.60) POLBSMN1; SMN2HTTMAPTTP53
SCHEMBL17086128 0.78 TP53 (0.57) POLBSMN1; SMN2HTTMAPTTP53
SCHEMBL23094972 0.78 HPGD (0.55) POLBSMN1; SMN2HTTMAPTTP53
SCHEMBL23018482 0.77 TP53 (0.45) POLBSMN1; SMN2HTTMAPTTP53
SCHEMBL30186428 0.76 TP53 (0.58) POLBSMN1; SMN2HTTMAPTTP53
SCHEMBL5057271 0.76 TP53 (0.58) POLBSMN1; SMN2HTTMAPTTP53
SCHEMBL4670438 0.75 HPGD (0.70) POLBSMN1; SMN2HTTMAPTTP53

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 POLB 1770/4885SMN1; SMN2 4610/4885HTT 4564/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS POLB 1770/4885SMN1; SMN2 4610/4885HTT 4564/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS POLB 1770/4885SMN1; SMN2 4610/4885HTT 4564/4885

“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.