SCHEMBL806133

SCHEMBL806133

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.51
CMA1 P23946 1/20 0.48
REN P00797 4/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
F2 P00734 1/20 0.46
LMNA P02545 1/20 0.46
LTA4H P09960 1/20 0.46
MAPT P10636 1/20 0.46
PEPD P12955 1/20 0.46
ALOX15 P16050 1/20 0.46
PTGS1 P23219 1/20 0.46
HTR2A P28223 1/20 0.46
PTGS2 P35354 1/20 0.46
HRH1 P35367 1/20 0.46
THPO P40225 1/20 0.46
PMP22 Q01453 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
ELANE P08246 3/20 0.45

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
SCHEMBL159043 1.00 ACE (0.51) ACECMA1RENHSD17B10KDM4E
SCHEMBL1300341 1.00 ACE (0.51) ACECMA1RENHSD17B10KDM4E
SCHEMBL26121717 1.00 ACE (0.51) ACECMA1RENHSD17B10KDM4E
SCHEMBL12335712 0.90 ACE (0.48) ACERENHSD17B10KDM4EF2
SCHEMBL8046113 0.89 KLK5 (0.51) ACECMA1PEPDELANE
SCHEMBL806180 0.89 ELANE (0.42) ACECMA1F2ELANE
SCHEMBL8055611 0.89 ELANE (0.42) ACECMA1F2ELANE
SCHEMBL14232792 0.89 ELANE (0.42) ACECMA1F2ELANE
SCHEMBL14202917 0.89 KLK5 (0.51) ACECMA1PEPDELANE
SCHEMBL806061 0.88 ELANE (0.45) ACECMA1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
WO-2022125804-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2021142247-A1 SMARCA2-VHL DEGRADERS AMGEN INC. (US) 2021-07-15 WO disclosed
WO-2021018118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 WO disclosed
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2017-03-09 US disclosed
WO-2012037259-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-22 WO disclosed
EP-1505963-B9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-21 EP disclosed
EP-1505963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-20 EP disclosed
US-20090202486-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
WO-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 WO disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2007139585-A1 CONTROLLED-RELEASE FORMULATION SCHERING CORPORATION (US) 2007-12-06 WO disclosed
WO-2006130626-A2 METHOD FOR MODULATING ACTIVITY OF HCV PROTEASE THROUGH USE OF A NOVEL HCV PROTEASE INHIBITOR TO REDUCE DURATION OF TREATMENT PERIOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2005087721-A2 COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed
WO-2005051410-A9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-07-28 WO disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 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 (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-20090202486-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS CTSC, DPP4, DNPEP ACE 41/4885CMA1 213/4885REN 1251/4885
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT ACE 2033/4885CMA1 1718/4885REN 1513/4885

“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.