SCHEMBL21809985

SCHEMBL21809985

COC(=O)c1cc(C(=O)C(=O)NC(C)(C)C)n2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KCNK3 O14649 8/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21809868 0.96 MAPK1 (0.41) ALDH1A1KCNK3MAPTMAPK1KMT2A
SCHEMBL21810031 0.88 KCNK3 (0.42) KCNK3
SCHEMBL23224028 0.84 ALDH1A1 (0.49) ALDH1A1KCNK3TP53MAPTMAPK1
SCHEMBL21809982 0.84 KCNK3 (0.38) KCNK3KDM4EPDE3BPDE3A
SCHEMBL23223818 0.83 ALDH1A1 (0.48) ALDH1A1KCNK3TP53MAPTMAPK1
SCHEMBL21809669 0.83 ALDH1A1 (0.48) ALDH1A1KCNK3MAPK1KMT2APDE3B
SCHEMBL28630776 0.81 SLC10A1 (0.44) ALDH1A1KCNK3
SCHEMBL28630773 0.81 SLC10A1 (0.44) ALDH1A1KCNK3
SCHEMBL23223827 0.80 MAPK1 (0.47) ALDH1A1KCNK3MAPTMAPK1KMT2A
SCHEMBL28559102 0.80 NR1H2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2022-09-22 US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
EP-3807246-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-21 EP disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 US 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 (6 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-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KCNK3 4724/4885TP53 385/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KCNK3 4724/4885TP53 385/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KCNK3 4724/4885TP53 385/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KCNK3 4724/4885TP53 385/4885
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KCNK3 4724/4885TP53 385/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KCNK3 4724/4885TP53 385/4885

“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.