SCHEMBL12018561

SCHEMBL12018561

CCOC(=O)[C@@]12C[C@H]1/C=C\CCC/C=N/C(=O)[C@@H]1C[C@H](Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)C[C@H]1C(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.60
▸ CTSS P25774 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ TACR3 P29371 6/20 0.34
▸ ADAM17 P78536 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL3049467 0.90 CTSB (0.62) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3049462 0.90 CTSB (0.62) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8286271 0.90 CTSB (0.62) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3039922 0.88 CTSB (0.77) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8286783 0.88 CTSB (0.77) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3039916 0.88 CTSB (0.77) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8248465 0.87 CTSB (0.67) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3050935 0.83 CTSB (0.63) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3050936 0.83 CTSB (0.63) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8285112 0.82 CTSB (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 — — 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-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT HAVCR2, CYP7A1, CYP3A4 CTSB 111/4885CTSS 206/4885KDM4E 2098/4885

“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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