SCHEMBL10740883

SCHEMBL10740883

Cc1ccccc1OC(=O)C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccsc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ KDM4E B2RXH2 7/20 0.56
▸ RECQL P46063 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TEK Q02763 1/20 0.56
▸ SLC15A2 Q16348 1/20 0.56
▸ LMNA P02545 4/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PDE3A Q14432 1/20 0.51
▸ RARB P10826 1/20 0.50
▸ RARG P13631 1/20 0.50
▸ NR1H2 P55055 1/20 0.50
▸ NR1H3 Q13133 1/20 0.50
▸ NR1I3 Q14994 1/20 0.50
▸ HRH1 P35367 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
SCHEMBL10815465 1.00 PTGS1 (0.72) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10740881 1.00 PTGS1 (0.72) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10814101 0.95 PTGS1 (0.68) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10814105 0.95 PTGS1 (0.68) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10735144 0.92 KDM4E (0.64) PTGS1KDM4ERECQLTDP1MEN1
SCHEMBL10735137 0.92 KDM4E (0.64) PTGS1KDM4ERECQLTDP1MEN1
SCHEMBL10741985 0.90 PTGS1 (0.77) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL10741979 0.90 PTGS1 (0.77) PTGS1SMN1; SMN2KDM4ERECQLTDP1
SCHEMBL11498677 0.87 PTGS1 (0.84) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin Cresyl SCHEMBL27673599 0.86 PTGS1 (0.73) PTGS1SMN1; SMN2KDM4ERECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0084948-B1 PENICILLIN DERIVATIVES BEECHAM GROUP PLC (GB) 1987-11-04 — — EP claimed
EP-0083977-A1 6-Alpha-hydroxymethylpenicillanic acid sulfone as a beta-lactamase inhibitor PFIZER INC. (US) 1983-07-20 — — EP claimed
EP-0008917-B1 PENAM-3-CARBOXYLIC ACID 1,1-DIOXIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS PFIZER INC. (US) 1982-11-24 — — EP claimed
US-4287181-A TO ENHANCE THE EFFECTIVENESS OF B-LACTAM ANTIBIOTICS PFIZER INC. (US) 1981-09-01 — — US claimed
US-4256733-A Acetoxymethyl penam compounds as β-lactamase inhibitors PFIZER INC. (US) 1981-03-17 — — US claimed
EP-0008917-A1 Penam-3-carboxylic acid 1,1-dioxides, process for their preparation and pharmaceutical compositions PFIZER INC. (US) 1980-03-19 — — EP claimed
US-4656263-A 6-β-substituted penicillanic acid compound free of the 6-α-epimer PFIZER INC. (US) 1987-04-07 — — US disclosed
EP-0095341-B1 PENICILLANIC ACID DIOXIDE PRODRUG PFIZER INC. (US) 1986-02-26 — — EP disclosed
US-4518530-A 6-β-Substituted penicillanic acids as β-lactamase inhibitors PFIZER INC. (US) 1985-05-21 — — US disclosed
US-4517126-A Penicillanic acid derivative PFIZER INC. (US) 1985-05-14 — — US disclosed
US-4432970-A SYNERGISTIC WITH AMINO ACID DERIVATIVE ANTIBIOTICS PFIZER INC. (US) 1984-02-21 — — US disclosed
US-4428935-A BETA-LACTAMASE INHIBITORS PFIZER INC. (US) 1984-01-31 — — US disclosed
EP-0095341-A1 Penicillanic acid dioxide prodrug PFIZER INC. (US) 1983-11-30 — — EP disclosed
EP-0083977-A1 6-Alpha-hydroxymethylpenicillanic acid sulfone as a beta-lactamase inhibitor PFIZER INC. (US) 1983-07-20 — — EP disclosed
EP-0008917-B1 PENAM-3-CARBOXYLIC ACID 1,1-DIOXIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS PFIZER INC. (US) 1982-11-24 — — EP disclosed
US-4287181-A TO ENHANCE THE EFFECTIVENESS OF B-LACTAM ANTIBIOTICS PFIZER INC. (US) 1981-09-01 — — US disclosed
US-4256733-A Acetoxymethyl penam compounds as β-lactamase inhibitors PFIZER INC. (US) 1981-03-17 — — US disclosed
US-4241050-A Penam 1,1-dioxides as beta-lactamase inhibitors PFIZER INC. (US) 1980-12-23 — — US disclosed
US-4234579-A Penicillanic acid 1,1-dioxides as β-lactamase inhibitors PFIZER INC. (US) 1980-11-18 — — US disclosed
EP-0008917-A1 Penam-3-carboxylic acid 1,1-dioxides, process for their preparation and pharmaceutical compositions PFIZER INC. (US) 1980-03-19 — — EP disclosed
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