SCHEMBL2511482

SCHEMBL2511482

CCC1CC1(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
LPAR1 Q92633 1/20 0.35
BTK Q06187 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.33
CACNA1H O95180 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
EPHX1 P07099 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
APLNR P35414 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 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
SCHEMBL1687973 1.00 KMT2A (0.39) KMT2AMEN1MAPK1LPAR1BTK
SCHEMBL1636182 1.00 KMT2A (0.39) KMT2AMEN1MAPK1LPAR1BTK
SCHEMBL12891851 1.00 KMT2A (0.39) KMT2AMEN1MAPK1LPAR1BTK
SCHEMBL28564855 0.89 KMT2A (0.40) KMT2AMEN1MAPK1BTKALDH1A1
SCHEMBL7897717 0.88 KMT2A (0.38) KMT2AMEN1MAPK1BTKALDH1A1
SCHEMBL14631900 0.88 LPAR1 (0.34) LPAR1
SCHEMBL12891846 0.88 KMT2A (0.39) KMT2AMEN1MAPK1ALDH1A1CACNA1H
SCHEMBL6838872 0.88 MEN1 (0.39) KMT2AMEN1MAPK1BTKGAA
SCHEMBL6838875 0.88 MEN1 (0.39) KMT2AMEN1MAPK1BTKGAA
SCHEMBL6237174 0.88 MEN1 (0.39) KMT2AMEN1MAPK1BTKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2028186-B1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CA LTD (CA) 2013-01-23 EP claimed
EP-2028186-B1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CA LTD (CA) 2013-01-23 EP disclosed
EP-2028186-B1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CA LTD (CA) 2013-01-23 EP disclosed
EP-2379579-A1 HCV NS3 PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2011-10-26 EP disclosed
US-RE42164-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-RE42164-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-RE41894-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-26 US disclosed
US-RE41894-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-26 US disclosed
US-RE41894-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-26 US disclosed
WO-2010080389-A1 HCV NS3 PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-07-15 WO disclosed
US-20020037998-A1 Hepatitis C inhibitor tri-peptides LLINAS-BRUNET MONTSE (CA) 2002-03-28 US disclosed
US-20020016442-A1 Hepatitis C inhibitor tri-peptides LLINAS-BRUNET MONTSE (CA) 2002-02-07 US disclosed
US-6329379-B1 OLIGOPEPTIDES FOR INHIBITING HEPATITIS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-11 US disclosed
US-6329417-B1 RACEMATES, DIASTEREOISOMERS AND OPTICAL ISOMERS; PROTEASE INHIBITOR PEPTIDE ANALOG BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-11 US disclosed
US-6323180-B1 PROTEASE INHIBITORS; INHIBIT REPLICATION OF HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2001-11-27 US disclosed
US-6268207-B1 RESOLUTION OF ENANTIOMERS FROM A MIXTURE OF (1R,2S)/(1S,2S)-1-AMINO-2-VINYLCYCLOPROPYL CARBOXYLIC ACID METHYL ESTER COMPRISING THE STEP OF TREATING SAID MIXTURE WITH AN ESTERASE TO OBTAIN THE CORRESPONDING (1R,2S) ENANTIOMER BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-07-31 US disclosed
EP-1105422-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-13 EP disclosed
EP-1105413-A2 HEPATITIS C INHIBITOR TRI-PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-13 EP disclosed
WO-2000009558-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-02-24 WO disclosed
WO-2000009543-A2 HEPATITIS C INHIBITOR TRI-PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-02-24 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-20020037998-A1 Hepatitis C inhibitor tri-peptides LIPC, HAVCR2, HCCS KMT2A 4757/4885MEN1 4494/4885MAPK1 1745/4885
US-20020016442-A1 Hepatitis C inhibitor tri-peptides HAVCR2, LIPC, HCCS KMT2A 4759/4885MEN1 4480/4885MAPK1 2611/4885

“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.