SCHEMBL22778264

SCHEMBL22778264

CCCCCCS(=O)(=O)NC1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
FAAH O00519 2/20 0.37

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
SCHEMBL21024655 1.00 HCRTR2 (0.39) HCRTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL20372767 0.93 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1679043 0.88 FAAH (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22363303 0.88 FAAH (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21316483 0.88 FAAH (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20098105 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1678500 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21210710 0.84 EPHX1 (0.42)
Hydrochloric Acid SCHEMBL1950726 0.84 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4559183 0.83 CA12 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865215-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 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 (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-10865215-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 HCRTR2 257/4885PSEN1 484/4885PSEN2 899/4885

“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.