SCHEMBL2173780

SCHEMBL2173780

CC(C)(C)OC(=O)[C@H]1CC[C@@H](Oc2ccncc2)C[C@]1(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.35
MAPT P10636 1/20 0.35
CYP17A1 P05093 2/20 0.34
GPR119 Q8TDV5 3/20 0.33
EPHX2 P34913 2/20 0.33
CPB2 Q96IY4 1/20 0.32
USP30 Q70CQ3 1/20 0.32
NAMPT P43490 1/20 0.32
RAF1 P04049 1/20 0.31
BUB1 O43683 1/20 0.31
GPR6 P46095 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL2172483 0.72 CHRM2 (0.34)
SCHEMBL23123630 0.71 GPR119 (0.43) GPR119EPHX2USP30PDE4APDE4B
Hydrochloric Acid SCHEMBL2172300 0.71
SCHEMBL2173732 0.69 GPR119 (0.36) GPR119EPHX2KDM1A
SCHEMBL2174224 0.69 MAPK1 (0.30)
SCHEMBL18615484 0.69 KDM1A (0.50) EPHX2RAF1KDM1A
SCHEMBL24011176 0.69 KDM1A (0.50) EPHX2RAF1KDM1A
SCHEMBL14127610 0.68 EPHX2 (0.43) EPHX2CPB2NAMPTLNPEP
SCHEMBL27194426 0.68 NAMPT (0.52) GPR119NAMPT
SCHEMBL4713304 0.67 GPR119 (0.62) GPR119EPHX2USP30KDM1A

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
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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 (2 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 CYP19A1 491/4885MAPT 2590/4885CYP17A1 345/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 CYP19A1 407/4885MAPT 2732/4885CYP17A1 337/4885

“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.