SCHEMBL1644141

SCHEMBL1644141

CCCCCCCCCCC/C=C/CCC(CCC)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.54
TERT O14746 3/20 0.46
PTPN1 P18031 3/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
BLM P54132 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FABP4 P15090 2/20 0.46
KMT2A Q03164 2/20 0.46
TOP1 P11387 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL1943742 1.00 FAAH (0.54) FAAHTERTPTPN1PPARGPPARD
SCHEMBL1943740 1.00 FAAH (0.54) FAAHTERTPTPN1PPARGPPARD
SCHEMBL6570230 1.00 FAAH (0.54) FAAHTERTPTPN1PPARGPPARD
SCHEMBL6570327 1.00 FAAH (0.54) FAAHTERTPTPN1PPARGPPARD
SCHEMBL6570227 1.00 FAAH (0.54) FAAHTERTPTPN1PPARGPPARD
SCHEMBL6570324 1.00 FAAH (0.54) FAAHTERTPTPN1PPARGPPARD
SCHEMBL1644144 1.00 FAAH (0.54) FAAHTERTPTPN1PPARGPPARD
SCHEMBL6571454 0.98 FAAH (0.53) FAAHTERTPTPN1PPARGPPARD
Hydrochloric Acid SCHEMBL6570132 0.98 FAAH (0.53) FAAHTERTPTPN1PPARGPPARD
SCHEMBL2032486 0.90 FAAH (0.57) FAAHTERTPTPN1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-07-01 US claimed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 US claimed
EP-2323981-A1 PROCESS FOR THE PREPARATION OF A MACROCYCLE F. Hoffmann-La Roche AG (CH) 2011-05-25 EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
WO-2010015545-A1 PROCESS FOR THE PREPARATION OF A MACROCYCLE F. HOFFMANN-LA ROCHE AG (CH) 2010-02-11 WO disclosed
EP-2089385-A2 INHIBITORS OF HEPATITIS C VIRUS Brystol-Myers Squibb Company (US) 2009-08-19 EP disclosed
EP-2086967-A2 INHIBITORS OF HEPATITIS C VIRUS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
EP-1951743-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2008-08-06 EP disclosed
EP-1924594-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2008-05-28 EP disclosed
WO-2008057873-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO disclosed
WO-2007014923-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
EP-1629000-A4 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2006-11-29 EP disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
EP-1629000-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
EP-1455809-A2 INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2004-09-15 EP disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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 (1 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-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 FAAH 1192/4885TERT 2558/4885PTPN1 643/4885

“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.