SCHEMBL2491602

SCHEMBL2491602

CCCCCCCc1csc(C(=O)OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.46
PPARA Q07869 4/20 0.44
PPARG P37231 3/20 0.44
AKT1 P31749 1/20 0.41
IRS1 P35568 1/20 0.41
GAB1 Q13480 1/20 0.41
ESR1 P03372 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
PTGS2 P35354 2/20 0.40
GPR35 Q9HC97 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NOD2 Q9HC29 1/20 0.39
RARB P10826 1/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7907090 0.98 PLA2G4A (0.45) PLA2G4APPARAPPARGAKT1IRS1
SCHEMBL11655388 0.84 CNR1 (0.38) PLA2G4AGPR84PTGS2GPR35THRA
SCHEMBL30372303 0.83 GPR35 (0.48) PPARAESR1GPR84PTGS2GPR35
SCHEMBL13469125 0.82 MAPT (0.47) ESR1KDM4EMAPTNPSR1
SCHEMBL15177362 0.81 MAPT (0.61) PPARAESR1GPR84PTGS2GPR35
SCHEMBL11024967 0.81 DAO (0.58) PPARAPPARGGPR84PTGS2GPR35
SCHEMBL2490471 0.81 DAO (0.58) PPARAPPARGGPR84PTGS2GPR35
SCHEMBL11718951 0.81 DAO (0.58) PPARAPPARGGPR84PTGS2GPR35
SCHEMBL11453552 0.81 MAPT (0.61) PPARAESR1GPR84PTGS2GPR35
SCHEMBL11885368 0.80 GPR84 (0.44) PPARAGPR84PTGS2GPR35THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
CN-102325787-B Novel antibacterial agents for the treatment of gram positive infections CUBIST PHARM INC 2014-05-28 CN disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
EP-2674437-A1 Novel antibacterial agents for the treatment of GRAM positive infections Cubist Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
EP-2379580-B1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARM INC (US) 2013-10-23 EP disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
CN-102325787-A Novel antibacterial agents for the treatment of gram positive infections CUBIST PHARM INC 2012-01-18 CN disclosed
EP-2379580-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS Cubist Pharmaceuticals, Inc. (US) 2011-10-26 EP disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
WO-2010075215-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2010-07-01 WO disclosed
WO-2010075215-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2010-07-01 WO 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 (3 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 PLA2G4A 947/4885PPARA 2275/4885PPARG 2784/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 PLA2G4A 947/4885PPARA 2275/4885PPARG 2784/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 PLA2G4A 947/4885PPARA 2275/4885PPARG 2784/4885

“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.