SCHEMBL11225982

SCHEMBL11225982

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)OC(C)(C)C)c3ccc(O)cc3)[C@H]2SC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ TDP1 Q9NUW8 4/20 0.57
▸ CTDSP1 Q9GZU7 2/20 0.57
▸ MAPT P10636 7/20 0.56
▸ NR1I2 O75469 3/20 0.55
▸ SLC22A6 Q4U2R8 3/20 0.55
▸ SLC22A8 Q8TCC7 3/20 0.55
▸ SLC22A11 Q9NSA0 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ DNMT1 P26358 1/20 0.55
▸ ESR1 P03372 2/20 0.54
▸ PGR P06401 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ POLB P06746 2/20 0.52
▸ HSD17B10 Q99714 3/20 0.51
▸ SLC15A2 Q16348 1/20 0.51
▸ LMNA P02545 1/20 0.51

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
SCHEMBL11423429 1.00 PTGS1 (0.63) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11423431 1.00 PTGS1 (0.63) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11444166 0.94 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11519106 0.94 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11061430 0.94 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11841581 0.94 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11215786 0.94 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL10811911 0.94 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL10811905 0.94 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11825336 0.93 PTGS1 (0.60) PTGS1L3MBTL1TDP1CTDSP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000285-B1 7-ACYLAMINO-3-((3-(CARBOXYMETHYL) THIO-1 H-1,2,4-TRIAZOL-5-YL) THIOMETHYL)-3-CEPHEM-4-CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1982-02-17 — — EP disclosed
EP-0000100-B1 7-ACYLAMINO-3-(1-(2-SULFAMOYLAMINOETHYL)-TETRAZOL-5-YLTHIOMETHYL)-3-CEPHEM-4-CARBOXYLIC ACIDS, A PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1982-02-03 — — EP disclosed
US-4286089-A BACTERICIDES SMITHKLINE CORPORATION (US) 1981-08-25 — — US disclosed
US-4220644-A BACTERICIDES SMITHKLINE CORPORATION (US) 1980-09-02 — — US disclosed
US-4210587-A 7-Acylamino-3-[1-[2-(carboxymethylamino)ethyl]tetrazol-5-ylthio methyl]-3-cephem-4-carboxylic acids SMITHKLINE CORPORATION (US) 1980-07-01 — — US disclosed
US-4174324-A 3-(Carboxymethyl)thio-1H-1,2,4-triazol-5-thione SMITHKLINE CORPORATION (US) 1979-11-13 — — US disclosed
US-4174323-A BACTERICIDE, CEPHALOSPORIN INTERMEDIATES SMITHKLINE CORPORATION (US) 1979-11-13 — — US disclosed
US-4159373-A 7-Acyl-3-(sulfonic acid and sulfamoyl substituted tetrazolyl thiomethyl) cephalosporins SMITHKLINE CORPORATION (US) 1979-06-26 — — US disclosed
US-4147701-A BACTERICIDES, 1-CARBOXYMETHYLTHIOETHYLTETRAZOLE-5-THIOL SMITHKLINE CORPORATION (US) 1979-04-03 — — US disclosed
US-4144241-A CEPHALOSPORIN MODIFIERS SMITHKLINE CORPORATION (US) 1979-03-13 — — US disclosed
US-4103008-A ANTIBIOTICS TOSHIYASU ISHIMARU 1978-07-25 — — US disclosed
US-4093723-A ANTIBIOTICS SMITHKLINE CORPORATION (US) 1978-06-06 — — US disclosed
US-4083975-A BACTERICIDES, SEMI-SYNTHETIC CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1978-04-11 — — US disclosed
US-4079134-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-03-14 — — US disclosed
US-4064242-A ANTIBACTERIAL AGENTS SMITHKLINE CORPORATION (US) 1977-12-20 — — US disclosed
US-4060610-A Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections SMITHKLINE CORPORATION (US) 1977-11-29 — — US disclosed
US-4057631-A CEPHALOSPORINS, BACTERICIDE SMITHKLINE CORPORATION (US) 1977-11-08 — — US disclosed
US-4048311-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-09-13 — — US disclosed
US-RE29164-E BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-29 — — US disclosed
US-3989694-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1976-11-02 — — US disclosed
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