SCHEMBL1899689

SCHEMBL1899689

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nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
EPHX1 P07099 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MME P08473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 3/20 0.35
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL1899687 1.00 POLB (0.39) POLBEPHX1SMN1; SMN2MMEKDM4E
SCHEMBL29025098 1.00 POLB (0.39) POLBEPHX1SMN1; SMN2MMEKDM4E
SCHEMBL30471284 0.82 EPHX1 (0.36) POLBEPHX1SMN1; SMN2CA2ALDH1A1
SCHEMBL1236443 0.81 NOD1 (0.49) EPHX1MMEMAPTCA2FOLH1
SCHEMBL8178933 0.81 NOD1 (0.49) EPHX1MMEMAPTCA2FOLH1
SCHEMBL7133053 0.81 TGFBR1 (0.50) POLBSMN1; SMN2MMECA2ALDH1A1
SCHEMBL19083738 0.81 POLB (0.40) POLBSMN1; SMN2MMEKDM4EMAPT
SCHEMBL7133055 0.81 TGFBR1 (0.50) POLBSMN1; SMN2MMECA2ALDH1A1
SCHEMBL1349241 0.81 POLB (0.40) POLBSMN1; SMN2MMEKDM4EMAPT
SCHEMBL31406277 0.81 POLB (0.40) POLBSMN1; SMN2MMEKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
CN-102596321-B Alkynyl derivatives useful as dpp-1 inhibitors JANSSEN PHARMACEUTICA NV 2014-11-19 CN disclosed
CN-102753524-B Bicyclic derivatives useful as inhibitors of dpp-1 ANSSEN PHARMACEUTICA NV 2014-11-05 CN disclosed
EP-2493571-B1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-23 EP disclosed
US-8633322-B2 Alkynyl derivatives useful as DPP-1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-21 US disclosed
US-8552032-B2 Bicyclic derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-10-08 US disclosed
EP-2513054-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
EP-2493571-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-09-05 EP disclosed
US-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA (BE) 2011-06-23 US disclosed
WO-2011075634-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO disclosed
WO-2011059731-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-19 WO disclosed
US-20110105562-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-05 US disclosed
EP-1558238-A4 BETA-HYDROXYPHENYLALDYLAMINES AND THEIR USE FOR TREATING GLAUCOMA UNIV VIRGINIA COMMONWEALTH (US) 2006-08-30 EP disclosed
US-20060106106-A1 Beta-hydroxyphenylalkylamines and their use for treating glaucoma VIRGINIA COMMONWEALTH UNIVERSITY 2006-05-18 US disclosed
EP-1558238-A2 BETA-HYDROXYPHENYLALDYLAMINES AND THEIR USE FOR TREATING GLAUCOMA Virginia Commonwealth University (US) 2005-08-03 EP disclosed
WO-2004028451-A2 β-HYDROXYPHENYLALKYLAMINES AND THEIR USE FOR TREATING GLAUCOMA VIRGINIA COMMONWEALTH UNIVERSITY (US) 2004-04-08 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-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 DPP4, DPP7, DPP3 POLB 3693/4885EPHX1 2466/4885SMN1; SMN2 2506/4885
US-20110105562-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS DPP4, DPP3, DPP7 POLB 4251/4885EPHX1 2179/4885SMN1; SMN2 2443/4885
US-20060106106-A1 Beta-hydroxyphenylalkylamines and their use for treating glaucoma PDE3A, QDPR, PDE2A POLB 1050/4885EPHX1 1045/4885SMN1; SMN2 4673/4885

“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.