SCHEMBL8248046

SCHEMBL8248046

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)NC5(C(=O)O)CC5/C=C\CCCCN(C)C(=O)N4C3)nc(-c3ccc(F)cc3)nc2c1C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CTSS P25774 1/20 0.41
▸ CTSB P07858 1/20 0.38
▸ CYP3A4 P08684 2/20 0.34

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
SCHEMBL2839934 1.00 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL2839926 1.00 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL8242164 0.95 ADRB3 (0.48) ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL2833506 0.95 ADRB3 (0.48) ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL2833498 0.95 ADRB3 (0.48) ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL2843232 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL8246966 0.95 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL3546846 0.95 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL3546837 0.95 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSSCTSB
SCHEMBL13502002 0.94 ADRB3 (0.50) ADRB3ADRA2BADRA2CCTSSCTSB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 — — EP disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — US disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 — — WO 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 ADRB3 944/4885ADRA2B 2037/4885ADRA2C 705/4885

“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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