SCHEMBL3936868

SCHEMBL3936868

CN1CCN(S(=O)(=O)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 2/20 0.33
LMNA P02545 1/20 0.33
PREP P48147 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
STS P08842 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
SCHEMBL12792779 0.86 CA12 (0.42) CA12CA14CA1CA7CA2
SCHEMBL583414 0.86 CA12 (0.42) CA12CA14CA1CA7CA2
SCHEMBL12421750 0.85 CA12 (0.45) CA12CA14CA1CA7CA2
SCHEMBL13610628 0.84 STS (0.47) SMN1; SMN2STS
SCHEMBL4177994 0.82 SMN1; SMN2 (0.47) CA12CA14CA1CA7CA2
SCHEMBL17057869 0.82 CA12 (0.40) CA12CA14CA1CA7CA2
SCHEMBL20564368 0.81 SIGMAR1 (0.38) CA12CA14CA1CA7CA2
SCHEMBL22404282 0.81 CA12 (0.39) CA12CA14CA1CA7CA2
SCHEMBL2801676 0.81 CA12 (0.39) CA12CA14CA1CA7CA2
SCHEMBL13217301 0.80 CA12 (0.40) CA12CA14CA1CA7CA2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 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 (4 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-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CA12 4519/4885CA14 3881/4885CA1 4845/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CA12 4215/4885CA14 3189/4885CA1 4665/4885
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B CA12 4620/4885CA14 4430/4885CA1 4837/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CA12 4215/4885CA14 3189/4885CA1 4665/4885

“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.