SCHEMBL25474281

SCHEMBL25474281

CCCC(NC(=O)CN)C(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ PSEN1 P49768 6/20 0.33
▸ PSEN2 P49810 6/20 0.33
▸ APH1B Q8WW43 6/20 0.33
▸ NCSTN Q92542 6/20 0.33
▸ APH1A Q96BI3 6/20 0.33
▸ PSENEN Q9NZ42 6/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ NOD1 Q9Y239 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.31
▸ DNM1 Q05193 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 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
SCHEMBL7175773 0.79 NOD1 (0.49) FPR2NOD1SLC6A5
SCHEMBL12229210 0.79 KDM4E (0.39) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL7175771 0.79 NOD1 (0.49) FPR2NOD1SLC6A5
SCHEMBL23792690 0.79 NOD1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18438964 0.78 CTSK (0.43) CTSSCTSKL3MBTL1
SCHEMBL18438966 0.78 CTSK (0.43) CTSSCTSKL3MBTL1
SCHEMBL25474945 0.78 NOD1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12598695 0.76 CTSK (0.44) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL7802720 0.73 HDAC7 (0.34) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL12250669 0.73 HDAC7 (0.34) CTSSCTSKPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS PHARMA MAR, S.A. (ES) 2023-05-25 — — US disclosed
US-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS PHARMA MAR, S.A. (ES) 2023-05-25 — — US disclosed
US-20230158102-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION PHARMA MAR, S.A. (ES) 2023-05-25 — — US disclosed
US-20230158102-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION PHARMA MAR, S.A. (ES) 2023-05-25 — — US disclosed
US-20230158104-A1 COMPOUNDS FOR USE IN AUTOIMMUNE CONDITIONS PHARMA MAR, S.A. (ES) 2023-05-25 — — US disclosed
US-20230158104-A1 COMPOUNDS FOR USE IN AUTOIMMUNE CONDITIONS PHARMA MAR, S.A. (ES) 2023-05-25 — — 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 (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-20230158102-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION ACE, SARS1, ACE2 CTSS 402/4885CTSK 566/4885PSEN1 616/4885
US-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS OAT, MAVS, HAVCR2 CTSS 1320/4885CTSK 2187/4885PSEN1 1735/4885
US-20230158104-A1 COMPOUNDS FOR USE IN AUTOIMMUNE CONDITIONS SSB, HLA-DRB1, TPMT CTSS 1910/4885CTSK 1124/4885PSEN1 4280/4885

“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.

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