SCHEMBL4597740

SCHEMBL4597740

[CH2]Sc1nnnn1CS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
SLC6A4 P31645 1/20 0.32
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 3/20 0.30
NPC1 O15118 2/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9334598 0.83 KMT2A (0.42) KMT2ALMNAALDH1A1HSD17B10CYP1A2
SCHEMBL4597744 0.82 KMT2A (0.58) KMT2ALMNAALDH1A1HSD17B10CYP1A2
SCHEMBL13297834 0.79 ALDH1A1 (0.47) KMT2ALMNAALDH1A1HSD17B10POLB
SCHEMBL16118721 0.77 ALDH1A1 (0.53) KMT2ALMNAALDH1A1HSD17B10POLB
SCHEMBL10404026 0.76 ALDH1A1 (0.37) KMT2ALMNAALDH1A1HSD17B10SLC6A4
SCHEMBL16091099 0.76 HSD17B10 (0.43) KMT2ALMNAALDH1A1HSD17B10SLC6A4
SCHEMBL9487023 0.76 KMT2A (0.39) KMT2ALMNAALDH1A1HSD17B10CYP1A2
SCHEMBL13814463 0.74 LMNA (0.31) KMT2ALMNA
SCHEMBL4597338 0.73 CYP1A2 (0.55) KMT2ALMNAALDH1A1HSD17B10CYP1A2
SCHEMBL9602660 0.70 CYP1A2 (0.31) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420554-B1 REACTION OF BETA LACTAM WITH PHOSPHOROUS HALIDE IN THE PRESENCE OF BASE, ADDING PHENOL, REACTION WITH ALCOHOL AND REMOVAL OF ESTER OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2002-07-16 US claimed
EP-0137534-B1 ONE-POT PROCESS FOR PREPARATION OF 7BETA-AMINO- AND 7BETA-ACYLAMINO- 3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR DEOXYGENATION OF 7BETA-ACYLAMINO-3-CEPHEM-4-CARBOXYLIC ACID 1-OXIDE DERIVATIVES GIST-BROCADES N.V. (NL) 1990-05-16 EP claimed
US-4547573-A BACTERICIDES ICI PHARMA (FR) 1985-10-15 US claimed
EP-0137534-A2 One-pot process for preparation of 7beta-amino- and 7beta-acylamino- 3-substituted methyl-3-cephem-4-carboxylic acid derivatives and process for deoxygenation of 7beta-acylamino-3-cephem-4-carboxylic acid 1-oxide derivatives GIST-BROCADES N.V. (NL) 1985-04-17 EP claimed
US-4504478-A Cephalosporin-1-oxide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1985-03-12 US claimed
US-4497949-A PHOTOTHERMOGRAPHY;COLOR FILMS;STORAGE STABILITY;ANTIFOGGING AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-05 US claimed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US claimed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US claimed
EP-0113965-A2 Process for the preparation of cephalosporin derivatives ICI PHARMA (FR) 1984-07-25 EP claimed
EP-0082648-A2 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-29 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed
EP-1010701-B1 PROCESS FOR THE PREPARATION OF 3-CEPHEM COMPOUNDS OTSUKA KAGAKU KK (JP) 2008-01-16 EP disclosed
WO-2004101572-A1 7-GLUTARYL IMIDE CEPHALOSPORANIC ACID DERIVATIVES AND PROCESS FOR PREPARING IT CKD BIO CORPORATION (KR) 2004-11-25 WO disclosed
US-6420554-B1 REACTION OF BETA LACTAM WITH PHOSPHOROUS HALIDE IN THE PRESENCE OF BASE, ADDING PHENOL, REACTION WITH ALCOHOL AND REMOVAL OF ESTER OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2002-07-16 US disclosed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP disclosed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP disclosed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed