SCHEMBL16021111

SCHEMBL16021111

CCOC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3cc(-c4nc(C(C)C)cs4)nc4c(C)c(OC)ccc34)CN2C(=O)OC(C)(C)C)C[C@H]1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSB P07858 1/20 0.41
PPP3CB P16298 1/20 0.41
ABCC1 P33527 1/20 0.37
ABCC2 Q92887 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ADRB3 P13945 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
UCHL1 P09936 1/20 0.33
CYP3A4 P08684 2/20 0.32
MCL1 Q07820 3/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL7936992 0.93 CTSB (0.48) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL7937868 0.91 CTSB (0.43) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL9978730 0.88 CTSB (0.50) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL2215312 0.87 CTSB (0.48) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL8242872 0.87 CTSB (0.48) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL1688355 0.87 CTSB (0.53) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL17212947 0.86 CTSB (0.44) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL1101688 0.86 CTSS (0.44) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL12383126 0.86 CTSB (0.35) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL13336994 0.85 CTSS (0.43) CTSSCTSBPPP3CBABCC1ABCC2

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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9040562-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-05-26 US disclosed
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R&D IRELAND (IE) 2014-09-11 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS CTSS 1949/4885CTSB 3370/4885PPP3CB 2809/4885
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS CTSS 1949/4885CTSB 3370/4885PPP3CB 2809/4885

“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.