Sugi Predict

Sugi Predict / Compounds / SCHEMBL7944203

SCHEMBL7944203

SCHEMBL7944203

COc1ccc2c(OC)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.40
▸ NPC1 O15118 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A1 P04798 4/20 0.36
▸ CYP1B1 Q16678 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 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
SCHEMBL3427399 0.93 CTSS (0.39) CTSSNPC1MAPTKDM4ERAB9A
SCHEMBL883451 0.93 CTSS (0.39) CTSSNPC1MAPTKDM4ERAB9A
SCHEMBL883446 0.92 MAPT (0.38) CTSSNPC1MAPTKDM4ERAB9A
SCHEMBL15483435 0.92 LMNA (0.36) CTSSNPC1MAPTKDM4ERAB9A
SCHEMBL13336763 0.91 CTSS (0.37) CTSSNPC1MAPTKDM4ERAB9A
SCHEMBL874861 0.90 CTSS (0.36) CTSSNPC1MAPTKDM4ERAB9A
SCHEMBL8005359 0.90 CTSS (0.36) CTSSNPC1MAPTKDM4ERAB9A
SCHEMBL313693 0.90 CTSS (0.38) CTSSNPC1MAPTKDM4ERAB9A
SCHEMBL12951727 0.90 CTSS (0.36) CTSSNPC1MAPTKDM4ERAB9A
SCHEMBL3429820 0.88 CTSS (0.37) CTSSNPC1MAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239129-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2017-11-01 — — EP disclosed
US-9006423-B2 Process for making a 4-amino-4-oxobutanoyl peptide cyclic analogue, an inhibitor of viral replication, and intermediates thereof ACHILLION PHARMACEUTICALS INC. (US) 2015-04-14 — — US disclosed
WO-2014145507-A1 A PROCESS FOR MAKING A 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUE, AN INHIBITOR OF VIRAL REPLICATION, AND INTERMEDIATES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
US-20140275520-A1 PROCESS FOR MAKING A 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUE, AN INHIBITOR OF VIRAL REPLICATION, AND INTERMEDIATES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
WO-2012166716-A2 SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2012-12-06 — — WO disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 — — US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 — — US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 — — WO disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 — — WO disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 — — WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 — — WO disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — 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 (5 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP CTSS 1768/4885NPC1 2805/4885MAPT 4366/4885
US-20140275520-A1 PROCESS FOR MAKING A 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUE, AN INHIBITOR OF VIRAL REPLICATION, AND INTERMEDIATES THEREOF VIP, ZC3HAV1, RNGTT CTSS 2663/4885NPC1 2545/4885MAPT 4249/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CTSS 925/4885NPC1 516/4885MAPT 2923/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 CTSS 1082/4885NPC1 937/4885MAPT 4715/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CTSS 925/4885NPC1 516/4885MAPT 2923/4885

“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.