SCHEMBL5274104

SCHEMBL5274104

O=C(O)C(S)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 4/20 0.48
TP53 P04637 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MDM2 Q00987 1/20 0.47

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
SCHEMBL7207824 1.00 TDP1 (0.52) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL2417683 0.90 TDP1 (0.56) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL28331140 0.80 CA2 (0.52) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL28679723 0.80 ALDH1A1 (0.52) TDP1CES2CES1LMNAALDH1A1
SCHEMBL8445181 0.80 CES1 (0.60) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL3948673 0.77 CA12 (0.44) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL10530602 0.77 CA12 (0.44) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL20133901 0.77 KMT2A (0.51) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL11377658 0.76 TDP1 (0.52) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL338162 0.76 TDP1 (0.52) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746340-B1 PEPTIDE-CHELATOR CONJUGATES BRACCO INT BV (NL) 2007-11-07 EP disclosed
EP-0730472-B1 IMMOBILIZED LABELLING METHOD BRACCO INT BV (NL) 2006-08-02 EP disclosed
EP-0716647-B1 HYDRAZINO-TYPE N2S2 CHELATORS RESOLUTION PHARM INC (CA) 1999-03-24 EP disclosed
US-5866544-A IMAGING SITES OG INFLAMMATION RESOLUTION PHARMACEUTICALS, INC. (CA) 1999-02-02 US disclosed
US-5858327-A CONJUGATION TO TARGETTING AND LABELLING BIOMOLECULES LIKE PROTEINS, PEPTIDES AND ANTIBODIES; CONTRAST AGENTS FOR TOMAGRAPHY DIAGNOSIS RESOLUTIONS PHARMACEUTICALS, INC. (CA) 1999-01-12 US disclosed
US-5789555-A COMPLEXING RESOLUTION PHARMACEUTICALS INC. (CA) 1998-08-04 US disclosed
US-5679642-A WHEN LABELLED WITH A TRACEABLE METAL ARE USEFUL FOR DIAGNOSTIC IMAGING OF SITES OF INFLAMMATION RESOLUTION PHARMACEUTICALS INC. (CA) 1997-10-21 US disclosed
EP-0746340-A1 PEPTIDE-CHELATOR CONJUGATES RESOLUTION PHARMACEUTICALS INC. (CA) 1996-12-11 EP disclosed
US-5574140-A LABELS FOR TARGETS MOLECULES FOR DIAGNOSIS RESOLUTION PHARMACEUTICAL INC. (CA) 1996-11-12 US disclosed
US-5569745-A DIAGNOSTIC IMAGING SITE OF INFLAMMATION RESOLUTION PHARMACEUTICALS INC. (CA) 1996-10-29 US disclosed
EP-0730472-A1 IMMOBILIZED LABELLING METHOD RESOLUTION PHARMACEUTICALS INC. (CA) 1996-09-11 EP disclosed
EP-0716647-A1 HYDRAZINO-TYPE N 2?S 2? CHELATORS RESOLUTION PHARMACEUTICALS INC. (CA) 1996-06-19 EP disclosed
WO-1995022996-A2 PEPTIDE-CHELATOR CONJUGATES RESOLUTION PHARMACEUTICALS INC. (CA) 1995-08-31 WO disclosed
WO-1995013832-A1 IMMOBILIZED LABELLING METHOD RESOLUTION PHARMACEUTICALS INC. (CA) 1995-05-26 WO disclosed
WO-1995006633-A1 HYDRAZINO-TYPE N2S2 CHELATORS RESOLUTION PHARMACEUTICALS INC. (CA) 1995-03-09 WO disclosed
US-4460601-A Dipeptides having a methionine residue and possessing a protective action for the liver MAGGIONI FARMACEUTICI, S.P.A. (IT) 1984-07-17 US disclosed