Sugi Predict

Sugi Predict / Compounds / SCHEMBL8002198

SCHEMBL8002198

SCHEMBL8002198

C=CC1C[C@]1(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BTK Q06187 1/20 0.33
▸ MAPT P10636 2/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ CACNA1H O95180 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ MIF P14174 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
SCHEMBL312680 1.00 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL12772356 1.00 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL31287272 1.00 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL1537645 1.00 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL6050963 1.00 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL12530114 1.00 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL380051 1.00 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL2617514 1.00 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL2617503 1.00 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL1673987 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040479-B2 HCV NS3 protease inhibitors COCRYSTAL PHARMA, INC. (US) 2015-05-26 — — US disclosed
US-20140349921-A1 HCV NS3 PROTEASE INHIBITORS COCRYSTAL PHARMA, INC. 2014-11-27 — — US disclosed
WO-2013106689-A1 HCV NS3 PROTEASE INHIBITORS REF PHARMA, LLC. (US) 2013-07-18 — — WO disclosed
EP-1771453-B1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-05-30 — — EP disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 — — US disclosed
EP-1771454-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2011-06-15 — — EP disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 — — US disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 — — US disclosed
US-7696242-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 — — US disclosed
US-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-08 — — US disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 — — US disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 — — US disclosed
WO-2008098368-A1 INHIBITORS OF HEPATITIS C NS3 PROTEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 — — WO disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20070072809-A1 Antiviral compounds GILEAD SCIENCES, INC. 2007-03-29 — — US disclosed
WO-2007009227-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 — — WO disclosed
US-20070010455-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-11 — — US disclosed
WO-2006026352-A1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2006-03-09 — — WO disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 — — WO disclosed
WO-2006007708-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER ENGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 — — WO 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 (6 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-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease RNASE1, GTF3C3, CTRL MEN1 4742/4885MAPK1 2223/4885KMT2A 1797/4885
US-20070072809-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 MEN1 4774/4885MAPK1 3687/4885KMT2A 4309/4885
US-20140349921-A1 HCV NS3 PROTEASE INHIBITORS DPP3, HAVCR2, CTRL MEN1 4864/4885MAPK1 3532/4885KMT2A 3019/4885
US-20070010455-A1 Hepatitis C virus inhibitors HAVCR2, VIP, ENPEP MEN1 4771/4885MAPK1 4225/4885KMT2A 4664/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP MEN1 3909/4885MAPK1 2986/4885KMT2A 4411/4885
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs HAVCR2, ZC3HAV1, CTSC MEN1 2293/4885MAPK1 1704/4885KMT2A 3405/4885

“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.