SCHEMBL2757930

SCHEMBL2757930

CC(=O)NC(C)C(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ABL1 P00519 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
CXCL8 P10145 1/20 0.30
ADAM17 P78536 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPA1 O75762 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
SCHEMBL20207717 1.00 POLB (0.43) POLBEPHX1ALDH1A1KDM4EABL1
SCHEMBL17407698 0.80 POLB (0.42) POLBEPHX1ALDH1A1KDM4EMAPT
SCHEMBL10209145 0.79 POLB (0.40) POLBEPHX1ALDH1A1KDM4ECXCL8
SCHEMBL12533070 0.78 DPP4 (0.45) POLBALDH1A1KDM4EFAP
SCHEMBL2757967 0.78 POLB (0.41) POLBEPHX1ALDH1A1KDM4EADAM17
SCHEMBL24702231 0.76 POLB (0.41) POLBEPHX1ALDH1A1KDM4ECXCL8
SCHEMBL18658966 0.76 POLB (0.41) POLBEPHX1ALDH1A1KDM4ECXCL8
SCHEMBL29444029 0.76 POLB (0.41) POLBEPHX1ALDH1A1KDM4ECXCL8
SCHEMBL17663573 0.76 MMP3 (0.41) POLBEPHX1ADAM17
SCHEMBL13091636 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EABL1PREPFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 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 (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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 POLB 4473/4885EPHX1 872/4885ALDH1A1 2356/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 POLB 4473/4885EPHX1 872/4885ALDH1A1 2356/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 POLB 4473/4885EPHX1 872/4885ALDH1A1 2356/4885

“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.