SCHEMBL3549335

SCHEMBL3549335

CN1CCCCC=CC2CC2(C(N)=O)NC(=O)C2CC(Oc3nc(N4CCOCC4)nc4ccccc34)CC2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.50
▸ CTSS P25774 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PIK3CA P42336 5/20 0.32
▸ PIK3CG P48736 5/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CB P42338 5/20 0.32
▸ PIK3CD O00329 4/20 0.32
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL2841189 0.93 CTSB (0.49) CTSBCTSSKDM4EALDH1A1PRKCB
SCHEMBL13501942 0.89 CTSB (0.65) CTSBCTSSKDM4EALDH1A1PRKCB
SCHEMBL2843684 0.88 CTSB (0.48) CTSBCTSS
SCHEMBL2835019 0.87 CTSB (0.54) CTSBCTSS
SCHEMBL2835640 0.85 CTSB (0.52) CTSBCTSS
SCHEMBL8242256 0.85 CTSB (0.67) CTSBCTSS
SCHEMBL13501940 0.83 CTSB (0.65) CTSBCTSSPRKCBPRKCAPRKCH
SCHEMBL2835045 0.83 CTSB (0.49) CTSBCTSS
SCHEMBL2841187 0.82 CTSB (0.43) CTSBCTSS
SCHEMBL2834968 0.82 CTSB (0.37) CTSBCTSSKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 CTSB 1213/4885CTSS 624/4885KDM4E 4584/4885

“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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