SCHEMBL17575508

SCHEMBL17575508

CCCCN1CCCS1(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PER2 O15055 8/20 0.33
CRY1 Q16526 8/20 0.33
CRY2 Q49AN0 8/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1753836 0.94 ALOX5 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1911460 0.88 L3MBTL1 (0.36) PER2CRY1CRY2L3MBTL1
SCHEMBL12251949 0.87 PER2 (0.34) PER2CRY1CRY2
SCHEMBL23921620 0.86 ALOX5 (0.37) PER2CRY1CRY2L3MBTL1
SCHEMBL18591638 0.81 CRY1 (0.36) PER2CRY1CRY2
SCHEMBL728955 0.81 PER2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1486529 0.79 PER2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18591647 0.79 PER2 (0.35) PER2CRY1CRY2
SCHEMBL28527867 0.79 PER2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17556101 0.79 PER2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2021-11-04 US disclosed
EP-3139436-B1 ELECTROLYTE AND LITHIUM BATTERY INCLUDING THE ELECTROLYTE SAMSUNG SDI CO LTD (KR) 2019-06-19 EP disclosed
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-03-10 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 (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-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 PSEN1 3304/4885PSEN2 3968/4885APH1B 4174/4885
US-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS MCL1, BCL9, BCL9L PSEN1 3777/4885PSEN2 4579/4885APH1B 1443/4885

“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.