SCHEMBL10156903

SCHEMBL10156903

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)NC5(C(=O)O)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3csc(C4CCCCC4)n3)nc2c1C

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.64
▸ ADRB3 P13945 1/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ ADRA2C P18825 1/20 0.58
▸ CTSB P07858 2/20 0.53
▸ PPP3CB P16298 1/20 0.31

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
SCHEMBL996686 1.00 CTSS (0.64) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL1104212 1.00 CTSS (0.64) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL996688 1.00 CTSS (0.64) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL12040449 1.00 CTSS (0.64) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL996691 1.00 CTSS (0.64) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL10156895 0.94 CTSS (0.62) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL996415 0.94 CTSS (0.62) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL996417 0.94 CTSS (0.62) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL1104181 0.94 CTSS (0.62) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL996416 0.94 CTSS (0.62) CTSSADRB3ADRA2BADRA2CCTSB

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-8148399-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-03 — — US disclosed
US-8148399-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-03 — — US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 — — US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 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-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS CTSS 1949/4885ADRB3 2852/4885ADRA2B 3632/4885

“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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