SCHEMBL13385474

SCHEMBL13385474

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5/C=C\CCCCN(N(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.71
▸ CTSS P25774 1/20 0.46
▸ ADRB3 P13945 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TACR3 P29371 5/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL8244871 1.00 CTSB (0.71) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3277879 0.95 CTSB (0.69) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8248465 0.93 CTSB (0.67) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12017053 0.92 CTSB (0.81) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL19093889 0.92 CTSB (0.81) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13385475 0.90 CTSB (0.88) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3049795 0.88 CTSB (0.66) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3049806 0.88 CTSB (0.66) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8285112 0.88 CTSB (0.66) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8284369 0.88 CTSB (0.72) CTSBCTSSADRB3ADRA2BADRA2C

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 142/4885ADRB3 1873/4885

“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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