SCHEMBL12289267

SCHEMBL12289267

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCOC(=O)N4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.70
▸ CTSS P25774 1/20 0.46
▸ ADRB3 P13945 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CYP3A4 P08684 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TACR3 P29371 5/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL2432144 1.00 CTSB (0.70) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2432156 1.00 CTSB (0.70) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2432160 1.00 CTSB (0.70) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2425065 0.99 CTSB (0.71) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2431706 0.99 CTSB (0.71) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2431712 0.99 CTSB (0.71) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13335467 0.99 CTSB (0.71) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL7928661 0.92 CTSB (0.70) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12325244 0.91 CTSB (0.57) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8238289 0.91 CTSB (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 — — US disclosed
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 — — US disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 — — US disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 — — US disclosed
US-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. 2010-05-13 — — US disclosed
US-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. 2010-05-13 — — 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 (2 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-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS NR4A1, NR4A3, NR4A2 CTSB 4085/4885CTSS 3833/4885ADRB3 1217/4885
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus NR4A1, NR4A3, NR4A2 CTSB 4294/4885CTSS 3996/4885ADRB3 1031/4885

“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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