SCHEMBL4457009

SCHEMBL4457009

CS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)c4ccccc4)CC3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
HTR2B P41595 2/20 0.45
ACHE P22303 2/20 0.44
CHEK2 O96017 1/20 0.44
ADAMTS7 Q9UKP4 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
TSHR P16473 2/20 0.42
AOC3 Q16853 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3983052 0.89 LMNA (0.46) LMNACA12CA1CA2CA7
SCHEMBL4457000 0.89 PTGS2 (0.44) PTGS1PTGS2ACHEAOC3CKS1B
SCHEMBL4464281 0.85 GRIN2B (0.58) PTGS1PTGS2SMN1; SMN2
SCHEMBL4059388 0.83 LMNA (0.44) LMNACA12CA1CA2CA7
SCHEMBL385210 0.82 GPR119 (0.61)
SCHEMBL2876265 0.80 GPR119 (0.56)
SCHEMBL4457038 0.80 POLB (0.51) HTR2BCHEK2HPGD
SCHEMBL3979014 0.79 SLC6A9 (0.44) CA2CHEK2
SCHEMBL3982419 0.79 ACHE (0.39) LMNACA2PTGS1PTGS2ACHE
SCHEMBL4452034 0.78 CA2 (0.44) CA12CA1CA2CA7CA9

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
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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 (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-20080103141-A1 New compounds GPR119, GPR3, GPR4 LMNA 3825/4885CA12 728/4885CA1 2855/4885

“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.