SCHEMBL5665684

SCHEMBL5665684

CC(O)CSCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CHRNA7 P36544 2/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX5 P09917 2/20 0.50
MAOB P27338 3/20 0.48

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
SCHEMBL10725573 0.84 ACE (0.48) CYP1A2CYP2C19
SCHEMBL30388348 0.82 LMNA (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5661937 0.82 LMNA (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9637755 0.80 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7688711 0.78 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9634739 0.78 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27038087 0.78 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL10474044 0.77 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5661941 0.77 LTA4H (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL16443386 0.76 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313754-A4 NUCLEOPHILE-STABLE THIOESTER GENERATING COMPOUNDS, METHODS OF PRODUCTION AND USE GRYPHON THERAPEUTICS INC (US) 2006-09-27 EP disclosed
US-6977292-B2 Nucleophile-stable thioester generating compounds, methods of production and use GRYPHON THERAPEUTICS (US) 2005-12-20 US disclosed
CN-1451013-A Nucleophile-stable thoester generating compounds, method of production and use GRYPHON SCIENCES (US) 2003-10-22 CN disclosed
US-20030149234-A1 Nucleophile-stable thioester generating compounds, methods of production and use ASTRAZENECA PHARMACEUTICALS LP 2003-08-07 US disclosed
EP-1313754-A1 NUCLEOPHILE-STABLE THIOESTER GENERATING COMPOUNDS, METHODS OF PRODUCTION AND USE Gryphon Therapeutics, Inc. (US) 2003-05-28 EP disclosed
WO-2002018417-A1 NUCLEOPHILE-STABLE THIOESTER GENERATING COMPOUNDS, METHODS OF PRODUCTION AND USE GRYPHON THERAPEUTICS, INC. (US) 2002-03-07 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-20030149234-A1 Nucleophile-stable thioester generating compounds, methods of production and use PTMS, COASY, TST LMNA 4221/4885CYP1A2 3984/4885PTGS1 3489/4885

“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.