SCHEMBL4609642

SCHEMBL4609642

O=C(O)Cn1nnnc1[S]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
KDM4C Q9H3R0 1/20 0.45
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 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
SCHEMBL10402889 0.82 MAPK1 (0.36) ALDH1A1HPGDKDM4CTSHRMAPK1
SCHEMBL8957670 0.80 EGLN3 (0.44) ALDH1A1HPGDKDM4CMAPK1CYP1A2
SCHEMBL955006 0.77 CYP1A2 (0.52) ALDH1A1HPGDKDM4CTSHRMAPK1
SCHEMBL11217089 0.75 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CTSHRMAPK1
SCHEMBL11196988 0.75 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CTSHRMAPK1
SCHEMBL11710847 0.75 MAPK1 (0.62) ALDH1A1HPGDKDM4CTSHRMAPK1
SCHEMBL4142949 0.75 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CTSHRMAPK1
SCHEMBL342613 0.75 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CTSHRMAPK1
SCHEMBL829258 0.75 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CTSHRMAPK1
SCHEMBL8056548 0.73 ALDH1A1 (0.46) ALDH1A1HPGDKDM4CTSHRMAPK1

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448393-B1 DEPROTECTING CARBOXYLIC ACID GROUP, DEHALOGENATING AND SULFIDING WITH HETEROARYL-THIO SUBSTITUTED COMPOUND PRODUCING 3-THIOMETHYLCEPHEM COMPOUNDS; CHEMICAL INTERMEDIATES TO ANTIBIOTICS, SUCH AS CEFAZOLIN AND CEFTRIAXONE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2002-09-10 US claimed
EP-1028118-A1 PROCESS FOR PRODUCING 3-CEPHEM COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2000-08-16 EP claimed
EP-0300546-B1 Process for the preparation of cephem compounds and cephalosporin derivatives GIST BROCADES NV (NL) 1995-08-09 EP claimed
US-4921954-A FROM SULFOXIDE INTERMEDIATE GIST-BROCADES N.V. (NL) 1990-05-01 US claimed
EP-0300546-A1 Process for the preparation of cephem compounds and cephalosporin derivatives GIST-BROCADES N.V. (NL) 1989-01-25 EP claimed
EP-0099580-B1 NEW 1-OXA-1-DETHIA-CEPHALOSPORIN DERIVATIVES MERCK & CO. INC. (US) 1987-10-14 EP claimed
US-4661480-A Formamido oxacephems BEECHAM GROUP P.L.C. (GB) 1987-04-28 US claimed
US-4578378-A (Oxoheterocyclic carbonamido)cephem carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1986-03-25 US claimed
US-4534898-A 1-Oxa-1-dethia-cephalosporin derivatives MERCK & CO., INC. (US) 1985-08-13 US claimed
EP-0121499-A2 Cephalosporins, their preparation and pharmaceutical compositions CIBA-GEIGY AG (CH) 1984-10-10 EP claimed
EP-0000500-B1 CEPHALOSPRIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1982-04-28 EP claimed
EP-0049309-A1 Cephem derivatives, process for producing thereof, and antibacterial agents comprising said compounds Eisai Co., Ltd. (JP) 1982-04-14 EP claimed
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 US claimed
US-4285941-A ANTIBIOTICS EISAI CO., LTD. (JP) 1981-08-25 US claimed
EP-0031794-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1981-07-08 EP claimed
US-4271296-A CEPHALOSPORINS AND DERIVATIVES SHIONOGI & CO., LTD. (JP) 1981-06-02 US claimed
EP-0022245-A2 Aminothiadiazolyl derivatives, process for their preparation, pharmaceutical compositions containing them;starting compounds and process for their preparation CIBA-GEIGY AG (CH) 1981-01-14 EP claimed
US-4229573-A BACTERICIDES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1980-10-21 US claimed
EP-0016296-A1 Cephalosporin derivatives, process for their preparation, compositions containing them, and intermediates and their preparation CIBA-GEIGY AG (CH) 1980-10-01 EP claimed
EP-0000500-A2 Cephalosprin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-02-07 EP claimed