SCHEMBL29895682

SCHEMBL29895682

CC(C)(C)OC(=O)NC12CC(C1)C2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
BTK Q06187 1/20 0.39
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GAA P10253 3/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
EPHX2 P34913 1/20 0.33
CACNA1H O95180 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
EPHX1 P07099 1/20 0.31
DPP8 Q6V1X1 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL28412752 0.78 MEN1 (0.47) KMT2AMEN1MAPK1BTKGAA
SCHEMBL9094283 0.75 BTK (0.41) KMT2AMEN1MAPK1BTKGAA
SCHEMBL3378123 0.70 MEN1 (0.48) KMT2AMEN1MAPK1BTKPSEN1
SCHEMBL1497422 0.70 MEN1 (0.51) KMT2AMEN1MAPK1GAAEPHX2
SCHEMBL17586286 0.69 MEN1 (0.63) KMT2AMEN1MAPK1EPHX2CACNA1H
SCHEMBL22930412 0.69 PSEN1 (0.38) KMT2AMEN1MAPK1BTKPSEN1
SCHEMBL27872243 0.69 MEN1 (0.43) KMT2AMEN1MAPK1BTKGAA
SCHEMBL4643135 0.69 MEN1 (0.43) KMT2AMEN1MAPK1BTKGAA
SCHEMBL30769843 0.69 BTK (0.35) KMT2AMEN1MAPK1BTKPSEN1
SCHEMBL20329780 0.69 BTK (0.44) KMT2AMEN1MAPK1BTKPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4298097-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
US-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-12-07 US disclosed
CN-116897155-A Benzothiazolyl bicyclo [1.1.1] pentane derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-10-17 CN disclosed
WO-2022180003-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-09-01 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 (1 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-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, SLC10A1, BCL2A1 KMT2A 2651/4885MEN1 2471/4885MAPK1 220/4885

“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.