SCHEMBL7077924

SCHEMBL7077924

CC(C)c1ccccc1OC1=C(O)CC(CCc2ccccc2)(c2ccccc2)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.34
UTS2R Q9UKP6 1/20 0.33
CES2 O00748 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
EGFR P00533 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
WRN Q14191 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL7440835 0.89 MAPT (0.41) L3MBTL1NPC1MEN1KMT2A
SCHEMBL7444885 0.83 GAA (0.34) LDHAUTS2RL3MBTL1GAAEGFR
SCHEMBL7439489 0.82 LDHA (0.33) LDHAUTS2RL3MBTL1EGFRMEN1
SCHEMBL7445625 0.80 LDHA (0.37) LDHAL3MBTL1GAAEGFRNPC1
SCHEMBL7451544 0.79 L3MBTL1 (0.32) CES2L3MBTL1WRNMEN1KMT2A
SCHEMBL6604694 0.78 LDHA (0.54) LDHA
SCHEMBL6295561 0.78 LMNA (0.35) LDHAL3MBTL1GAAEGFRWRN
SCHEMBL8342402 0.76 CNR2 (0.33) CES2L3MBTL1GAA
SCHEMBL9026452 0.76 WRN (0.36) LDHAUTS2RL3MBTL1GAAEGFR
SCHEMBL6608872 0.74 LDHA (0.41) LDHAUTS2RL3MBTL1GAAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US claimed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP claimed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP LDHA 2167/4885UTS2R 3413/4885CES2 2701/4885

“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.