SCHEMBL2490739

SCHEMBL2490739

CCCCCCSc1ccc(B(O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.56
LPL P06858 8/20 0.56
TRPV1 Q8NER1 2/20 0.56
MGLL Q99685 1/20 0.56
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
PLK1 P53350 4/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SLC2A1 P11166 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
SCHEMBL15229585 0.93 CA2 (0.53) LIPGLPLTRPV1MGLLCA1
SCHEMBL3062911 0.85 LPL (0.50) LIPGLPLTRPV1MGLLCA1
SCHEMBL21575598 0.84 THRB (0.56) CA1CA2THRBTHRAPLK1
SCHEMBL21575599 0.84 THRB (0.56) CA1CA2THRBTHRAPLK1
SCHEMBL11567371 0.84 THRB (0.56) CA1CA2THRBTHRAPLK1
SCHEMBL11569857 0.84 THRB (0.56) CA1CA2THRBTHRAPLK1
SCHEMBL7780112 0.79 NR5A1 (0.53) THRBTHRAPLK1MAOAMAOB
SCHEMBL9099086 0.79 NR5A1 (0.53) THRBTHRAPLK1MAOAMAOB
SCHEMBL337930 0.79 NR5A1 (0.53) THRBTHRAPLK1MAOAMAOB
SCHEMBL9099809 0.79 NR5A1 (0.53) THRBTHRAPLK1MAOAMAOB

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 8 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-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
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
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 LIPG 1906/4885LPL 2823/4885TRPV1 377/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 LIPG 1906/4885LPL 2823/4885TRPV1 377/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 LIPG 1906/4885LPL 2823/4885TRPV1 377/4885

“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.