SCHEMBL13502623

SCHEMBL13502623

CCOCO[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@@H]3/C=C\CCCCCN(Cc3ccc(OC)cc3)C(=O)N2C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.39
▸ CYP3A4 P08684 2/20 0.34
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 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
SCHEMBL995143 0.89 ADRB3 (0.37) CTSBADRB3ADRA2BADRA2C
SCHEMBL995146 0.89 ADRB3 (0.37) CTSBADRB3ADRA2BADRA2C
SCHEMBL13502622 0.89 ADRB3 (0.37) CTSBADRB3ADRA2BADRA2C
SCHEMBL3526970 0.89 ADRB3 (0.32) CTSBADRB3ADRA2BADRA2C
SCHEMBL8246317 0.89 CTSB (0.46) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL995274 0.88 ALDH1A1 (0.34) CTSBADRB3ADRA2BADRA2C
SCHEMBL995273 0.88 ALDH1A1 (0.34) CTSBADRB3ADRA2BADRA2C
SCHEMBL8249055 0.88 ALDH1A1 (0.34) CTSBADRB3ADRA2BADRA2C
SCHEMBL13502620 0.87 CTSB (0.45) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL15159922 0.86 CTSB (0.32) CTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023808-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2015-05-05 — — US disclosed
US-9023808-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2015-05-05 — — US disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 — — US disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 — — US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 — — US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 — — US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 — — US disclosed
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 — — US disclosed
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 — — US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 — — US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 — — 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 (3 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-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 CTSB 372/4885CTSS 942/4885CYP3A4 41/4885
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 CTSB 3457/4885CTSS 2129/4885CYP3A4 51/4885
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP2B6, HCCS CTSB 2563/4885CTSS 1100/4885CYP3A4 22/4885

“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.

Send feedback