SCHEMBL2877170

SCHEMBL2877170

CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
SIRT1 Q96EB6 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
LCK P06239 2/20 0.36

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
SCHEMBL2877172 1.00 GAA (0.43) GAAMAPTLMNASIRT1NPC1
SCHEMBL2877169 1.00 GAA (0.43) GAAMAPTLMNASIRT1NPC1
Potassium SCHEMBL8627342 0.99 GAA (0.43) GAAMAPTLMNASIRT1NPC1
SCHEMBL8627333 0.99 GAA (0.43) GAAMAPTLMNASIRT1NPC1
Potassium Ion SCHEMBL8627336 0.92 HDAC3 (0.39) GAAMAPTLMNASIRT1NPC1
SCHEMBL8575344 0.87 HDAC3 (0.39) GAAMAPTLMNASIRT1NPC1
SCHEMBL9364230 0.86 SIRT1 (0.38) GAALMNASIRT1NPC1RAB9A
SCHEMBL8441610 0.86 SIRT1 (0.38) GAALMNASIRT1NPC1RAB9A
SCHEMBL27317178 0.85 MAPT (0.45) GAAMAPTLMNANPC1RAB9A
SCHEMBL20887071 0.85 LMNA (0.46) GAAMAPTLMNASIRT1NPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292185-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD (BM) 2010-11-18 US disclosed
US-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics PFAENDLER HANS R (DE) 2004-12-23 US disclosed
EP-1444237-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS Pfaendler, Hans Rudolf (DE) 2004-08-11 EP disclosed
WO-2003042219-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS PFAENDLER HANS RUDOLF (DE) 2003-05-22 WO disclosed
EP-1077981-B1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LTD (KR) 2002-08-07 EP disclosed
EP-0594263-B1 INTERMEDIATES FOR THE PREPARATION OF THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES SHIONOGI & CO (JP) 1999-06-09 EP disclosed
CN-1034504-C Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1997-04-09 CN disclosed
EP-0409164-B1 Phenacylpyridiniothiocephalosporins SHIONOGI & CO (JP) 1996-06-05 EP disclosed
US-5352792-A Bactericides SHIONOGI & CO., LTD. (JP) 1994-10-04 US disclosed
EP-0467647-B1 Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1994-08-17 EP disclosed
EP-0594263-A1 Thioalkylthio cephalosporin derivatives and intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-04-27 EP disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
US-5134138-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1992-07-28 US disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 EP disclosed
EP-0409164-A2 Phenacylpyridiniothiocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-01-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics CBR3, CBR1, SULT1E1 GAA 3224/4885MAPT 4819/4885LMNA 3654/4885
US-20100292185-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB GAA 4/4885MAPT 3009/4885LMNA 1592/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.