SCHEMBL22644337

SCHEMBL22644337

C#CC(C)(CC(F)F)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.40
AAK1 Q2M2I8 5/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 7/20 0.34
CTSS P25774 4/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL22632990 0.80 L3MBTL1 (0.31) HTTL3MBTL1
SCHEMBL24312282 0.80 L3MBTL1 (0.49) APLNRCA1CA2CA7MEN1
SCHEMBL22380380 0.75 APLNR (0.39) APLNRAAK1CA1CA2CA7
SCHEMBL22644353 0.73 APLNR (0.41) APLNRAAK1CA1CA2CA7
SCHEMBL20684929 0.73 HTT (0.31) APLNRHTTL3MBTL1
SCHEMBL22644354 0.72 APLNR (0.41) APLNRAAK1CA1CA2CA7
SCHEMBL2187338 0.71 NPC1 (0.36) APLNRCA1CA2CA7MEN1
SCHEMBL3528175 0.69 L3MBTL1 (0.49) APLNRCA1CA2CA7MEN1
SCHEMBL29168310 0.68 CA1 (0.39) APLNRCA1CA2CA7MEN1
SCHEMBL5169401 0.67 CTSS (0.37) CA1CA2CA7MEN1GAA

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
US-11491148-B2 Amide derivatives useful in the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2022-11-08 US disclosed
EP-3966205-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-03-16 EP disclosed
US-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-11-12 US disclosed
WO-2020225230-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-11-12 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-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES HDGF, FABP1, NR1H4 APLNR 625/4885AAK1 1721/4885CA1 4473/4885
US-11491148-B2 Amide derivatives useful in the treatment of HBV infection or HBV-induced diseases HDGF, HAVCR2, FABP1 APLNR 726/4885AAK1 2777/4885CA1 4161/4885

“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.