SCHEMBL1067402

SCHEMBL1067402

COC(=O)/C=C(/C)N[C@@H](C(=O)O)C(C)C.[KH]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
PLA2G2A P14555 1/20 0.35
PLA2G5 P39877 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
FPR2 P25090 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 2/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 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
SCHEMBL1067405 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL1068890 0.98 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL1068891 0.98 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL11088300 0.86 CA2 (0.35) SMN1; SMN2TSHRCA2CA1
SCHEMBL11088304 0.86 CA2 (0.35) SMN1; SMN2TSHRCA2CA1
SCHEMBL11088312 0.86 CA2 (0.35) SMN1; SMN2TSHRCA2CA1
SCHEMBL15537131 0.83 NPSR1 (0.40) SMN1; SMN2ALDH1A1LMNAGAAPLA2G2A
SCHEMBL15537128 0.83 NPSR1 (0.40) SMN1; SMN2ALDH1A1LMNAGAAPLA2G2A
SCHEMBL16561939 0.81 NPSR1 (0.41) SMN1; SMN2ALDH1A1LMNAPLA2G2APLA2G5
SCHEMBL10811086 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624033-B2 Pleuromutilins and process for the preparation of pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2014-01-07 US disclosed
US-20130053571-A1 PLEUROMUTILINS AND PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2013-02-28 US disclosed
US-8334389-B2 Process for the preparation of pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2012-12-18 US disclosed
EP-2069301-B1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2011-09-07 EP disclosed
EP-2272829-A2 Process for the preparation of pleuromutilins Nabriva Therapeutics AG (AT) 2011-01-12 EP disclosed
US-20090253748-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2009-10-08 US disclosed
EP-2069301-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS Nabriva Therapeutics Forschungs GmbH (AT) 2009-06-17 EP disclosed
WO-2008040043-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2008-04-10 WO disclosed
EP-1908750-A1 Process for the preparation of pleuromutilins Nabriva Therapeutics Forschungs GmbH (AT) 2008-04-09 EP disclosed
EP-0421364-B1 Pleuromutilins BIOCHEMIE GMBH (AT) 1995-06-21 EP disclosed
US-5284967-A Pleuromutilins BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1994-02-08 US disclosed
US-5164526-A Antitumor for pigs BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1992-11-17 US disclosed
EP-0421364-A2 Pleuromutilins BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1991-04-10 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-20130053571-A1 PLEUROMUTILINS AND PROCESS FOR THE PREPARATION OF PLEUROMUTILINS PLEC, MLN, PTMA SMN1; SMN2 306/4885ALDH1A1 312/4885LMNA 2096/4885
US-20090253748-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS PLEC, MLN, PTMA SMN1; SMN2 176/4885ALDH1A1 182/4885LMNA 1929/4885

“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.