SCHEMBL2735533

SCHEMBL2735533

CC1CCC(NC(=O)C(N)C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
XIAP P98170 1/20 0.39
CXCR2 P25025 1/20 0.38
DPP4 P27487 7/20 0.38
ARG1 P05089 5/20 0.38
ARG2 P78540 4/20 0.38
EPHX1 P07099 4/20 0.38
DPP7 Q9UHL4 6/20 0.37
FAP Q12884 4/20 0.37
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 3/20 0.37
SMYD3 Q9H7B4 1/20 0.36
PREP P48147 2/20 0.33
PITRM1 Q5JRX3 1/20 0.33

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
SCHEMBL2735532 0.90 CPB2 (0.40) XIAPDPP4ARG1ARG2EPHX1
SCHEMBL2735524 0.89 KMT2A (0.48) MEN1LMNAKMT2AXIAPDPP4
SCHEMBL14655011 0.89 KMT2A (0.48) MEN1LMNAKMT2AXIAPDPP4
SCHEMBL5967831 0.85 SMYD3 (0.46) MEN1LMNAKMT2AXIAPDPP4
SCHEMBL28661580 0.85 SMYD3 (0.46) MEN1LMNAKMT2AXIAPDPP4
SCHEMBL15054947 0.85 SMYD3 (0.46) MEN1LMNAKMT2AXIAPDPP4
SCHEMBL10459274 0.82 DPP4 (0.39) XIAPDPP4ARG1ARG2DPP7
SCHEMBL10458504 0.82 XIAP (0.37) MEN1LMNAKMT2AXIAPDPP4
SCHEMBL10459272 0.82 XIAP (0.37) MEN1LMNAKMT2AXIAPDPP4
SCHEMBL10457308 0.82 DPP4 (0.39) XIAPDPP4ARG1ARG2DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
EP-1501495-B1 USE OF PLEUROMUTILINS FOR THE TREATMENT OF DISORDERS CAUSED BY HELICOBACTER PYLORI NABRIVA THERAPEUTICS AG (AT) 2010-09-08 EP disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
EP-1875903-B1 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES NABRIVA THERAPEUTICS AG (AT) 2010-07-28 EP disclosed
EP-1875903-A1 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES Nabriva Therapeutics Forschungs GmbH (AT) 2008-01-09 EP disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US 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-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH MEN1 559/4885LMNA 1879/4885KMT2A 4575/4885
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH MEN1 559/4885LMNA 1879/4885KMT2A 4575/4885

“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.