SCHEMBL2383648

SCHEMBL2383648

COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5C=CCCCCN(C)C(=O)C4C3)nc(-c3nc(C4CC4)cs3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.54
▸ CTSS P25774 1/20 0.54
▸ ADRB3 P13945 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 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
SCHEMBL8247343 1.00 CTSB (0.54) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2383647 1.00 CTSB (0.54) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2383645 1.00 CTSB (0.54) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8245335 0.93 CTSS (0.53) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2382705 0.91 CTSS (0.63) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2382700 0.91 CTSS (0.63) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2382696 0.91 CTSS (0.63) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12253398 0.91 CTSS (0.63) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2383129 0.91 CTSS (0.67) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2383127 0.91 CTSS (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919904-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN R & D IRELAND (IE) 2014-01-08 — — EP disclosed
US-8012939-B2 Macrocyclic inhibitors of hepatitis C virus Tibotec Pharmaceuticals Ltd. Co (IE) 2011-09-06 — — US disclosed
US-20090281141-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-11-12 — — 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-20090281141-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CBR1, HCCS, CYP2B6 CTSB 3926/4885CTSS 3118/4885ADRB3 2695/4885

“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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