SCHEMBL8314432

SCHEMBL8314432

COC(=O)CSc1cnnn1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.56
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.39
MIF P14174 1/20 0.39
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6086755 0.69 ALDH1A1 (0.58) HSD17B10ALDH1A1HPGDALOX15POLB
SCHEMBL11600134 0.68 HSD11B1 (0.40) HSD11B1
SCHEMBL24866742 0.68 HSD11B1 (0.40) HSD11B1
SCHEMBL7011885 0.68 MAPT (0.47) HSD17B10ALDH1A1HPGDALOX15MAPK1
SCHEMBL21233041 0.64 MAPK1 (0.49) HSD17B10ALDH1A1HPGDALOX15MAPK1
SCHEMBL10118118 0.63 ALDH1A1 (0.53) HSD17B10ALDH1A1HPGDALOX15MAPK1
SCHEMBL8311821 0.63
SCHEMBL28443794 0.62 POLB (0.51) HSD17B10ALDH1A1HPGDALOX15MAPK1
SCHEMBL25740966 0.62 LMNA (0.54) HSD17B10ALDH1A1HPGDALOX15MAPK1
SCHEMBL30932898 0.62 ALDH1A1 (0.50) HSD17B10ALDH1A1HPGDALOX15MAPK1

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
EP-0093376-B2 1-Sulfo-2-azetidinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-04-07 EP disclosed
EP-0093376-B1 1-SULFO-2-AZETIDINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
EP-0053816-B1 1-SULFO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1988-05-04 EP disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed