SCHEMBL4075644

SCHEMBL4075644

CS(=O)(=O)c1ccc(C(O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KIF11 P52732 1/20 0.42
ACP3 P15309 1/20 0.42
HSD11B1 P28845 2/20 0.39
PTGS2 P35354 4/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
ENPP2 Q13822 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL4075729 0.80 ACP3 (0.44) ACP3TOP2ATOP2BADORA2AADORA1
SCHEMBL30986703 0.79 ACP3 (0.57) ACP3ADORA2AADORA1MEN1KMT2A
SCHEMBL3289370 0.79 ACP3 (0.57) ACP3ADORA2AADORA1MEN1KMT2A
SCHEMBL3294921 0.79 ACP3 (0.57) ACP3ADORA2AADORA1MEN1KMT2A
SCHEMBL4083661 0.78 ACP3 (0.45) ACP3TOP2ATOP2BADORA2AADORA1
SCHEMBL4189236 0.76 CNR2 (0.49) ACP3ADORA2AADORA1LMNACYP3A4
SCHEMBL4080242 0.76 KMT2A (0.46) ACP3MEN1LMNAKMT2A
SCHEMBL4089382 0.76 ACP3 (0.41) ACP3TOP2ATOP2BADORA2AADORA1
SCHEMBL14033381 0.76 CA1 (0.61) CA1CA2CA9PTGS2CA12
SCHEMBL9776265 0.75 ACP3 (0.50) CA2ACP3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620395-B1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RES LTD (GB) 2009-12-30 EP disclosed
US-7504522-B2 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMITED (GB) 2009-03-17 US disclosed
US-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMAITED (GB) 2007-03-08 US disclosed
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 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-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders CNR1, CNR2, GPR119 RORC 875/4885CA1 2699/4885CA2 1582/4885

“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.