Sugi Predict

Sugi Predict / Compounds / SCHEMBL876133

SCHEMBL876133

SCHEMBL876133

COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC(=O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ HSD11B1 P28845 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
SCHEMBL8288614 1.00 PTPN1 (0.39) PTPN1ALDH1A1MAPK1NR1H2NR1H3
SCHEMBL877124 0.91 MAPK1 (0.40) PTPN1MAPK1NR1H2BUB1MEN1
SCHEMBL877125 0.91 MAPK1 (0.40) PTPN1MAPK1NR1H2BUB1MEN1
SCHEMBL6243903 0.86 PTPN1 (0.39) PTPN1ALDH1A1MAPK1NR1H2NR1H3
SCHEMBL875308 0.85 HSD17B10 (0.37) MAPK1NR1H2NR1H3BUB1MEN1
SCHEMBL875307 0.85 HSD17B10 (0.37) MAPK1NR1H2NR1H3BUB1MEN1
SCHEMBL21367006 0.80 PTPN1 (0.34) PTPN1ALDH1A1MAPK1NR1H2NR1H3
SCHEMBL21367005 0.80 PTPN1 (0.34) PTPN1ALDH1A1MAPK1NR1H2NR1H3
SCHEMBL22968909 0.80 PTPN1 (0.34) PTPN1ALDH1A1MAPK1NR1H2NR1H3
SCHEMBL6796073 0.78 PTPN1 (0.35) PTPN1ALDH1A1MAPK1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 — — US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 — — US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 — — US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 — — WO disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 — — WO disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 — — US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 — — US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 — — US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 — — US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 — — US disclosed
US-7094909-B2 Reacting an amide compound containing hydroxy and a carboxyl group and having benzene ring, with a halogenated alkyl aminocarbonyl-pyrrolidine with 2-fluoro groups substituted at the ring carbon, by amindation of amine and carboxyl group AGOURON PHARMACEUTICALS, INC. (US) 2006-08-22 — — US disclosed
CN-1599729-A HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMA (US) 2005-03-23 — — CN disclosed
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2004-10-14 — — US disclosed
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PFIZER INC. 2003-12-04 — — 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP PTPN1 3585/4885ALDH1A1 1706/4885MAPK1 2575/4885
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP PTPN1 3402/4885ALDH1A1 2461/4885MAPK1 2454/4885
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, FURIN, PEPD PTPN1 3288/4885ALDH1A1 2207/4885MAPK1 1849/4885
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis FURIN, PREP, PRSS1 PTPN1 2705/4885ALDH1A1 1479/4885MAPK1 953/4885

“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.