SCHEMBL2548812

SCHEMBL2548812

O=C(O)c1ccc(S(=O)(=O)Oc2ccccc2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
APEX1 P27695 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTPN1 P18031 6/20 0.49
EGFR P00533 2/20 0.49
ABL1 P00519 1/20 0.49
ABL2 P42684 1/20 0.49
SRC P12931 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL11703812 0.94 POLB (0.59) POLBAPEX1CTDSP1L3MBTL1PTPN1
SCHEMBL11701507 0.91 PTPN1 (0.57) POLBAPEX1CTDSP1L3MBTL1PTPN1
SCHEMBL1636289 0.88 POLB (0.55) POLBAPEX1CTDSP1L3MBTL1PTPN1
Water SCHEMBL7466907 0.87 POLB (0.54) POLBAPEX1CTDSP1L3MBTL1PTPN1
SCHEMBL11703815 0.86 L3MBTL1 (0.58) POLBAPEX1CTDSP1L3MBTL1PTPN1
SCHEMBL11704163 0.86 APEX1 (0.50) POLBAPEX1CTDSP1L3MBTL1PTPN1
SCHEMBL11700788 0.86 APEX1 (0.50) POLBAPEX1CTDSP1L3MBTL1PTPN1
SCHEMBL11583247 0.86 POLB (0.51) POLBAPEX1CTDSP1L3MBTL1PTPN1
SCHEMBL11582680 0.86 TDP1 (0.57) POLBAPEX1CTDSP1L3MBTL1PTPN1
SCHEMBL11582906 0.86 POLB (0.50) POLBAPEX1CTDSP1L3MBTL1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US claimed
EP-2552994-B1 COLORED POLYESTER CLARIANT FINANCE BVI LTD (VG) 2015-02-18 EP disclosed
US-20130045912-A1 Colored Polyester CLARIANT FINANCE (BVI) LIMITED (VG) 2013-02-21 US disclosed
EP-2552994-A1 COLORED POLYESTER Clariant Finance (BVI) Limited (VG) 2013-02-06 EP disclosed
WO-2011120653-A1 COLORED POLYESTER CLARIANT INTERNATIONAL LTD (CH) 2011-10-06 WO disclosed
EP-0780444-B1 Process to manufacture polycyclic compounds BAYER AG (DE) 2001-09-05 EP disclosed
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0780444-A2 Process to manufacture polycyclic compounds BAYER AG (DE) 1997-06-25 EP disclosed
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed
US-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed