SCHEMBL7207824

SCHEMBL7207824

O=C(O)[C@@H](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
SCHEMBL5274104 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4334377-A None JP disclosed
US-6607710-B1 Provide a bisphosphonic acid derivative and said bisphosphonic acid derivative being labeled with a radioactive nuclide, which has properties of rapid accumulation to the bone and rapid urinary excretion. NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-08-19 US disclosed
EP-1092723-A2 Bisphosphonic acid derivative and compound thereof labelled with radioactive nuclide NIHON MEDI-PHYSICS Co., Ltd. (JP) 2001-04-18 EP disclosed
EP-0770063-A1 TECHNETIUM-SULPHONAMIDE COMPLEXES, THEIR USE, PHARMACEUTICAL AGENTS CONTAINING THEM, AND PROCESS FOR PRODUCING THE COMPLEXES AND AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-02 EP disclosed
WO-1996002500-A1 TECHNETIUM-SULPHONAMIDE COMPLEXES, THEIR USE, PHARMACEUTICAL AGENTS CONTAINING THEM, AND PROCESS FOR PRODUCING THE COMPLEXES AND AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed
WO-1994022816-A1 METAL CHELATING COMPOUNDS AMERSHAM INTERNATIONAL PLC (GB) 1994-10-13 WO disclosed
EP-0618191-A1 Metal chelating compounds AMERSHAM INTERNATIONAL plc (GB) 1994-10-05 EP disclosed
EP-0495265-B1 Acid-labile linker molecules AKZO NOBEL NV (NL) 1994-08-03 EP disclosed
US-5306809-A Cancer immune therapy AKZO N.V. (NL) 1994-04-26 US disclosed
JP-H04334377-A ACID-LABILE LINKER MOLECULE AKZO NV 1992-11-20 JP disclosed
EP-0495265-A1 Acid-labile linker molecules Akzo Nobel N.V. (NL) 1992-07-22 EP disclosed