SCHEMBL967308

SCHEMBL967308

CN1C2CCC1CC(O)(S)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 3/20 0.40
ALDH1A1 P00352 1/20 0.30
HRH2 P25021 1/20 0.30
GPR183 P32249 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL4743604 0.79 LMNA (0.46) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL278484 0.77 LMNA (0.44) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL14608744 0.75 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL19198810 0.71 SLC6A4 (0.41) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL8373572 0.71 SLC6A4 (0.40) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL12158829 0.71 LMNA (0.44) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL3755807 0.71 SLC6A4 (0.41) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL14298073 0.70 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL8079753 0.70 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL7292734 0.70 SLC6A4 (0.39) LMNACYP2C9SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853599-B1 NOVEL POLYMORPH OF MUTILIN GLAXO GROUP LTD (GB) 2013-06-05 EP disclosed
US-8334303-B2 Specifically mutilin 14-(exo-8-methyl-8-azabicyclo[3.2.1]oct-3-ylsulfanyl)-acetate (SB 268091); use as antibiotic; crystallization from isopropanol; improved bioavailability, and/or physical properties, for example solubility or flow properties GLAZO GROUP LIMITED (GB) 2012-12-18 US disclosed
US-8207191-B2 Process, salts, composition and use GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20110144151-A1 NOVEL PROCESS, SALTS, COMPOSITION AND USE GLAXO GROUP LIMITED 2011-06-16 US disclosed
US-7875630-B2 reacting exo-8-methyl-8-azabicyclo[3.2.1]octan-3-thiol with mutilin 14-methanesulfonyloxyacetate in the presence of a tetra-n-butylammonium hydrogensulfate phase transfer catalyst, 4-methyl-2-pentanone, and aqueous NaOH to form mutilin 14-(exo-8-methyl-8-azabicyclo[3.2. 1]oct-3-ylsulfanyl)-acetate GLAXO GROUP LIMITED 2011-01-25 US disclosed
EP-2181995-A2 Salts and crystalline form of mutilin 14-(exo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl-sufanyl)-acetate Glaxo Group Limited (GB) 2010-05-05 EP disclosed
EP-1663220-B1 NOVEL PROCESS FOR THE PREPARATION OF PLEUROMUTILIN DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-20080161342-A1 Novel Polymorph of Mutilin GLAXO GROUP LIMITED (GB) 2008-07-03 US disclosed
EP-1853599-A1 NOVEL POLYMORPH OF MUTILIN GLAXO GROUP LIMITED (GB) 2007-11-14 EP disclosed
EP-1663220-A4 NOVEL PROCESS, SALTS, COMPOSITIONS AND USE GLAXO GROUP LTD (GB) 2007-04-18 EP disclosed
US-20060276503-A1 Novel process salts compositions and use GLAXO GROUP LIMITED 2006-12-07 US disclosed
WO-2006092334-A1 NOVEL POLYMORPH OF MUTILIN GLAXO GROUP LIMITED (GB) 2006-09-08 WO disclosed
EP-1663220-A1 NOVEL PROCESS, SALTS, COMPOSITIONS AND USE GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
WO-2005023257-A1 NOVEL PROCESS, SALTS, COMPOSITIONS AND USE GLAXO GROUP LIMITED (GB) 2005-03-17 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-20110144151-A1 NOVEL PROCESS, SALTS, COMPOSITION AND USE PLEC, MITF, MYOC LMNA 3459/4885CYP2C9 3669/4885SLC6A4 2987/4885
US-20080161342-A1 Novel Polymorph of Mutilin AMPD1, MSH2, MDN1 LMNA 3721/4885CYP2C9 1019/4885SLC6A4 4175/4885
US-20060276503-A1 Novel process salts compositions and use MYOC, MITF, MDN1 LMNA 3623/4885CYP2C9 3868/4885SLC6A4 2712/4885

“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.