SCHEMBL13501942

SCHEMBL13501942

CN1CCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc(N4CCOCC4)nc4ccccc34)C[C@H]2C1=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.65
▸ CTSS P25774 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PIK3CB P42338 2/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PRKCB P05771 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ PRKCH P24723 1/20 0.30
▸ PRKCE Q02156 1/20 0.30
▸ PRKCQ Q04759 1/20 0.30
▸ PRKCD Q05655 1/20 0.30
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL8242256 0.96 CTSB (0.67) CTSBCTSS
SCHEMBL13501940 0.95 CTSB (0.65) CTSBCTSSPRKCBPRKCAPRKCH
SCHEMBL13501937 0.89 CTSB (0.71) CTSBCTSS
SCHEMBL3549335 0.89 CTSB (0.50) CTSBCTSSKDM4EALDH1A1NPSR1
SCHEMBL4599911 0.88 CTSB (0.68) CTSBCTSS
SCHEMBL8251811 0.88 CTSB (0.68) CTSBCTSS
SCHEMBL8171444 0.86 CTSB (0.59) CTSBCTSS
SCHEMBL8248125 0.85 CTSB (0.64) CTSBCTSS
SCHEMBL4600660 0.85 CTSB (0.64) CTSBCTSS
SCHEMBL8249098 0.83 CTSS (0.69) CTSBCTSS

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-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
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
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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