SCHEMBL800040

SCHEMBL800040

O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NOTUM Q6P988 2/20 0.43
PDK2 Q15119 1/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL15884802 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1FABP5FABP7
SCHEMBL29922193 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1FABP5FABP7
SCHEMBL29401030 0.93 FABP7 (0.46) SMN1; SMN2RAB9ANPC1FABP5FABP7
SCHEMBL29710361 0.93 FABP7 (0.46) SMN1; SMN2RAB9ANPC1FABP5FABP7
SCHEMBL799721 0.93 FABP7 (0.46) SMN1; SMN2RAB9ANPC1FABP5FABP7
SCHEMBL118231 0.93 FABP7 (0.46) SMN1; SMN2RAB9ANPC1FABP5FABP7
SCHEMBL4362743 0.93 FABP7 (0.46) SMN1; SMN2RAB9ANPC1FABP5FABP7
SCHEMBL29516735 0.93 FABP7 (0.46) SMN1; SMN2RAB9ANPC1FABP5FABP7
SCHEMBL119502 0.92 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1FABP5FABP7
SCHEMBL29400785 0.92 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1FABP5FABP7

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968469-A2 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME Longevity Biotech, Inc. (US) 2016-01-20 EP disclosed
WO-2014145718-A2 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. (US) 2014-09-18 WO disclosed
WO-2014066726-A2 COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2014-05-01 WO disclosed
EP-2694095-A1 COMPOSITIONS COMPRISING GLUCAGON ANALOGS AND METHODS OF MAKING AND USING THE SAME Longevity Biotech, Inc. (US) 2014-02-12 EP disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
WO-2012138941-A1 COMPOSITIONS COMPRISING GLUCAGON ANALOGS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. (US) 2012-10-11 WO disclosed
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 US disclosed
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-7972994-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2011-07-05 US disclosed
US-20110136697-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES PRAECIS PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 US disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 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 (1 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-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT SMN1; SMN2 3923/4885RAB9A 4325/4885NPC1 1992/4885

“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.