SCHEMBL6265373

SCHEMBL6265373

O=C(O)C(SOSC(C(=O)O)C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 6/20 0.42
TP53 P04637 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.40
F2 P00734 1/20 0.40
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL6265371 0.81 TDP1 (0.50) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL28032287 0.73 CES1 (0.44) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL11177590 0.72 PPARG (0.50) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL3205527 0.71 TDP1 (0.48) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL9578308 0.69 TDP1 (0.56) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL10781749 0.69 TDP1 (0.56) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL2098567 0.69 TDP1 (0.56) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL10781459 0.69 TDP1 (0.56) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL599761 0.68 TDP1 (0.61) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL1704713 0.68 TDP1 (0.61) TDP1L3MBTL1CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224467-B1 PROTECTING ALKYLATING REAGENTS USED FOR QUANTIFYING HOMOCYSTEINE DADE BEHRING MARBURG GMBH (DE) 2005-11-30 EP disclosed
US-20040198703-A1 Protecting groups for biological labeling KECZER STEYE DE (US) 2004-10-07 US disclosed
US-6783947-B1 FOR DETECTING AMOUNT OF HOMOCYSTEINE IN SAMPLE; COMPRISES ALPHA-HALOKETONE AND DEPROTECTING AGENTS; FOR BIOASSAYS/CONJUGATION KITS DADE BEHRING MARBURG GMBH (DE) 2004-08-31 US disclosed
EP-1224467-A2 PROTECTING ALKYLATING REAGENTS USED FOR QUANTIFYING HOMOCYSTEINE Dade Behring Marburg GmbH (DE) 2002-07-24 EP disclosed
WO-2001018548-A2 PROTECTING ALKYLATING REAGENTS USED FOR QUANTIFYING HOMOCYSTEINE DADE BEHRING MARBURG GMBH (DE) 2001-03-15 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 (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-20040198703-A1 Protecting groups for biological labeling MGMT, PTMS, BCKDK TDP1 1684/4885L3MBTL1 1035/4885CES2 899/4885

“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.