SCHEMBL3277879

SCHEMBL3277879

COc1ccc2c(OC3CC4C(=O)NC5(C(N)=O)CC5C=CCCCCN(N(C)C)C(=O)C4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.69
▸ CTSS P25774 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ TACR3 P29371 5/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PAX8 Q06710 1/20 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
SCHEMBL13385474 0.95 CTSB (0.71) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8244871 0.95 CTSB (0.71) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8284369 0.93 CTSB (0.72) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8248465 0.92 CTSB (0.67) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL13385475 0.89 CTSB (0.88) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL19093889 0.88 CTSB (0.81) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL12017053 0.88 CTSB (0.81) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3277876 0.85 CTSB (0.55) CTSBCTSS
SCHEMBL13291501 0.85 CTSB (0.63) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL13291500 0.85 CTSB (0.63) CTSBCTSSKDM4EALDH1A1SMN1; SMN2

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-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 — — US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 — — 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 CTSB 404/4885CTSS 142/4885KDM4E 4409/4885

“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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