SCHEMBL5285671

SCHEMBL5285671

C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CC(=O)CBr)[C@H]2SC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.70
MAPT P10636 2/20 0.70
POLB P06746 1/20 0.70
PKM P14618 1/20 0.70
HTT P42858 1/20 0.70
DUSP3 P51452 1/20 0.70
PTPN5 P54829 1/20 0.70
PTPN11 Q06124 1/20 0.70
SPOP O43791 11/20 0.58
ABCC4 O15439 1/20 0.52
CNR1 P21554 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
HPGD P15428 1/20 0.51
APAF1 O14727 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
APEX1 P27695 1/20 0.49
PLCG1 P19174 1/20 0.49
ABCC2 Q92887 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49

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
SCHEMBL9481698 1.00 TDP1 (0.70) TDP1MAPTPOLBPKMHTT
SCHEMBL14458883 0.90 TDP1 (0.69) TDP1MAPTPOLBPKMHTT
SCHEMBL10386317 0.90 TDP1 (0.69) TDP1MAPTPOLBPKMHTT
SCHEMBL10891378 0.88 MAPT (0.56) TDP1MAPTPOLBPKMHTT
SCHEMBL10413515 0.84 CACNA1B (0.69) TDP1MAPTPOLBHPGDLMNA
SCHEMBL10413516 0.84 CACNA1B (0.69) TDP1MAPTPOLBHPGDLMNA
SCHEMBL11586977 0.83 TDP1 (0.69) TDP1MAPTPOLBPKMHTT
SCHEMBL16716450 0.83 TDP1 (1.00) TDP1MAPTPOLBPKMHTT
SCHEMBL9481956 0.83 TDP1 (1.00) TDP1MAPTPOLBPKMHTT
SCHEMBL11586385 0.83 TDP1 (1.00) TDP1MAPTPOLBPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208173-A1 CRYSTALLINE HYDRATES OF CEFDINIR CALCIUM SALT ABBOTT LABORATORIES 2007-09-06 US disclosed
WO-2007008672-A1 CRYSTALLINE CEFDINIR TRIHEMIHYDRATE ABBOTT LABORATORIES (US) 2007-01-18 WO disclosed
WO-2007008674-A1 CRYSTALLINE CEFDINIR HYDRATES ABBOTT LABORATORIES (US) 2007-01-18 WO disclosed
WO-2007008673-A2 CRYSTALLINE ANHYDROUS CEFDINIR AND CRYSTALLINE CEFDINIR HYDRATES ABBOTT LABORATORIES (US) 2007-01-18 WO disclosed
US-20060287289-A1 Crystalline anhydrous cefdinir and crystalline cefdinir hydrates ABBOTT LABORATORIES 2006-12-21 US disclosed
US-20060211676-A1 Crystalline anhydrous cefdinir and crystalline cefdinir hydrates ABBOTT LABORATORIES 2006-09-21 US disclosed
US-20060142261-A1 Crystalline anhydrous cefdinir and crystalline cefdinir hydrates ABBOTT LABORATORIES 2006-06-29 US disclosed
US-20060142563-A1 Crystalline anhydrous cefdinir and crystalline cefdinir hydrates ABBOTT LABORATORIES 2006-06-29 US disclosed
US-20060025399-A1 Crystalline anhydrous cefdinir and crystalline cefdinir hydrates ABBOTT LABORATORIES 2006-02-02 US disclosed