SCHEMBL6993398

SCHEMBL6993398

CC(=O)OCCc1cc(S(=O)(=O)Cl)c2ccccc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
ALOX5 P09917 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
TYR P14679 1/20 0.31

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
Potassium Ion SCHEMBL7805908 0.93 RAD52 (0.38) RAD52
SCHEMBL6991429 0.88 RAD52 (0.42) RAD52ALOX5MEN1KMT2AALDH1A1
Potassium Ion SCHEMBL6991427 0.86 RAD52 (0.41) RAD52ALOX5MEN1KMT2AALDH1A1
SCHEMBL7002514 0.82 RAD52 (0.43) RAD52ALDH1A1KDM4ERECQLCA2
SCHEMBL6991449 0.81 MEN1 (0.33) RAD52MEN1KMT2AALDH1A1LMNA
SCHEMBL26676650 0.76 ALDH1A1 (0.40) RAD52MEN1KMT2AALDH1A1CA12
SCHEMBL18498655 0.76 ALDH1A1 (0.40) RAD52MEN1KMT2AALDH1A1KDM4E
Potassium Ion SCHEMBL7808419 0.76 RAD52 (0.38) RAD52ALDH1A1KDM4ERECQL
SCHEMBL6994900 0.73 RAD52 (0.48) RAD52LMNA
SCHEMBL8192669 0.72 RAD52 (0.44) RAD52ALDH1A1KDM4ERECQLCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028962-B1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2003-04-23 EP disclosed
EP-1023062-B1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2002-12-18 EP disclosed
US-6399597-B1 CARBAPENICILLIN ANTIBIOTICS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1023062-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1028962-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1032383-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT MERCK & CO INC (US) 2001-11-21 EP disclosed
US-6294529-B1 ANTIBIOTICS BACTERICIDES MERCK & CO., INC. 2001-09-25 US disclosed
EP-1027352-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-09-19 EP disclosed
US-6140318-A FOR TREATING BACTERIAL INFECTIONS MERCK & CO., INC. (US) 2000-10-31 US disclosed
EP-1032383-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT Merck & Co., Inc. (US) 2000-09-06 EP disclosed
EP-1028962-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-23 EP disclosed
EP-1027352-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-16 EP disclosed
EP-1023062-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-02 EP disclosed
US-6008212-A ANTIBIOTICS AGAINST METHICILLIN RESISTANT STAPHYLOCOCCI MERCK & CO., INC. (US) 1999-12-28 US disclosed
US-5994345-A ANTIBIOTICS MERCK & CO., INC. (US) 1999-11-30 US disclosed
WO-1999020269-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020628-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020627-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999018954-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-22 WO disclosed