SCHEMBL8550528

SCHEMBL8550528

COC(=O)c1ccc(CSC(C)=O)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
LMNA P02545 3/20 0.71
HTT P42858 2/20 0.65
ALDH1A1 P00352 5/20 0.59
TSHR P16473 3/20 0.59
HSD17B10 Q99714 1/20 0.59
RAB9A P51151 3/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.55
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.52
HSP90AA1 P07900 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL26229112 0.84 MAPT (0.68) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL24462030 0.83 HTT (0.69) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL24470372 0.81 HTT (0.65) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL26227577 0.79 HTT (0.63) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL12018996 0.79 HTT (1.00) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL2031143 0.78 HTT (0.76) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL1530038 0.78 HTT (0.76) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL11397879 0.77 MAPT (0.69) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL12017372 0.77 HTT (0.86) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL4444107 0.76 HTT (0.73) MAPTLMNAHTTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251621-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
EP-4251622-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
CN-116390920-A Aromatic spirocyclic amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-04 CN disclosed
CN-116323620-A Aromatic bridged cyclic amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-06-23 CN disclosed
WO-2022112207-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
WO-2022112205-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
WO-2022112207-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 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-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP2E1 MAPT 3186/4885LMNA 2492/4885HTT 4590/4885
US-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1H4, SLC10A1 MAPT 4338/4885LMNA 1540/4885HTT 3950/4885

“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.