SCHEMBL1767848

SCHEMBL1767848

Cc1c(C(=O)O)ccnc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ASPH Q12797 1/20 0.46
KDM8 Q8N371 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
KDM4A O75164 2/20 0.44
RAB9A P51151 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.40
MYC P01106 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL14335806 0.81 KDM4E (0.52) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL353106 0.81 KDM4E (0.47) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL16094649 0.80 KDM4E (0.52) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL19857487 0.79 KDM4E (0.60) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL245080 0.78 KDM4E (0.48) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL480040 0.78 NAPRT (0.55) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL112760 0.78 KDM4E (0.44) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL581067 0.78 SMN1; SMN2 (0.55) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL2027279 0.78 NAPRT (0.55) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL27843532 0.78 KDM4E (0.44) KDM4EASPHKDM8TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694480-B1 ADAMANTYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
EP-2694480-A1 ADAMANTYL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-02-12 EP disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
WO-2012136684-A1 ADAMANTYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-11 WO disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US disclosed
US-20110112114-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-12 US disclosed
EP-1066247-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMA (US) 2006-11-22 EP disclosed
US-20040077600-A1 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease TUNG ROGER D (US) 2004-04-22 US disclosed
US-6608067-B1 Treating hepatitis C viral infection VERTEX PHARMACEUTICALS INCORPORATED 2003-08-19 US disclosed
US-20020065264-A1 Cysteine protease inhibitors containing heterocyclic leaving groups ZIMMERMAN MARY P (US) 2002-05-30 US disclosed
US-6297277-B1 PEPTIDYL KETONES HAVING HETEROCYCLIC LEAVING GROUPS; CATHEPSIN INHIBITORS PROTOTEK, INC. 2001-10-02 US disclosed
EP-1066247-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-01-10 EP disclosed
WO-2000066522-A1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2000-11-09 WO disclosed
WO-1999050230-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-10-07 WO disclosed
US-5925772-A ENZYME INHIBITORS FOR ANTIARTHRITIC AGENTS FROM HETEROCYCLIC PEPTIDES PROTOTEK, INC. (US) 1999-07-20 US disclosed
EP-0731696-A4 CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS PROTOTEK INC (US) 1999-04-21 EP disclosed
US-5663380-A ANTIARTHRITIC AGENTS; TREATMENT OF RHEUMATOID ARTHRITIS PROTOTEK, INC. (US) 1997-09-02 US disclosed
EP-0731696-A1 CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS PROTOTEK, INC. (US) 1996-09-18 EP disclosed
US-5486623-A Cysteine protease inhibitors containing heterocyclic leaving groups PROTOTEK, INC. (US) 1996-01-23 US disclosed
WO-1995015749-A1 CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS PROTOTEK, INC. (US) 1995-06-15 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 (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-20020065264-A1 Cysteine protease inhibitors containing heterocyclic leaving groups HPN, PREP, SPINT2 KDM4E 3850/4885ASPH 316/4885KDM8 334/4885
US-20120258982-A1 ADAMANTYL COMPOUNDS MAP3K1, MAP3K6, MAPKAPK2 KDM4E 3535/4885ASPH 645/4885KDM8 2051/4885
US-20040077600-A1 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease HPN, PRSS1, PRSS3 KDM4E 3387/4885ASPH 588/4885KDM8 824/4885
US-20110112114-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 KDM4E 3387/4885ASPH 588/4885KDM8 824/4885

“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.