SCHEMBL3544635

SCHEMBL3544635

CN1CCN(c2nc(-c3ccc(C(=O)N[C@H](C(=O)N4C[C@H](N)[C@H]5OCC(=O)[C@H]54)C4CCCCC4)cc3)cs2)CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.64
CTSS P25774 9/20 0.61
CTSL P07711 7/20 0.61
CTSV O60911 2/20 0.50
CTSB P07858 1/20 0.50

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
SCHEMBL3545597 1.00 CTSK (0.64) CTSKCTSSCTSLCTSVCTSB
SCHEMBL3549600 0.99 CTSK (0.65) CTSKCTSSCTSLCTSVCTSB
SCHEMBL3545368 0.99 CTSK (0.65) CTSKCTSSCTSLCTSVCTSB
SCHEMBL1480676 0.92 CTSK (0.75) CTSKCTSSCTSL
SCHEMBL3543908 0.92 CTSK (0.65) CTSKCTSSCTSLCTSVCTSB
SCHEMBL3543820 0.92 CTSK (0.65) CTSKCTSSCTSLCTSVCTSB
SCHEMBL1482439 0.92 CTSK (0.75) CTSKCTSSCTSL
SCHEMBL9909675 0.92 CTSK (0.64) CTSKCTSSCTSLCTSVCTSB
SCHEMBL8107175 0.92 CTSK (0.64) CTSKCTSSCTSLCTSVCTSB
SCHEMBL3545774 0.92 CTSK (0.64) CTSKCTSSCTSLCTSVCTSB

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-7799791-B2 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases AMURA THERAPEUTICS LIMITED (GB) 2010-09-21 US claimed
US-20090186831-A1 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases AMURA THERAPEUTICS LIMITED (GB) 2009-07-23 US claimed
US-7799791-B2 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases AMURA THERAPEUTICS LIMITED (GB) 2010-09-21 US disclosed
US-20090186831-A1 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases AMURA THERAPEUTICS LIMITED (GB) 2009-07-23 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-20090186831-A1 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases TMPRSS6, CCR6, MMP8 CTSK 496/4885CTSS 33/4885CTSL 73/4885

“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.