SCHEMBL4144700

SCHEMBL4144700

CC(C)(C)OC(=O)CNC1(C(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTPRC P08575 2/20 0.31
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CTSL P07711 1/20 0.31
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL15900226 0.84 CA12 (0.35) CA12CA2CA14PTPRCEPHX2
SCHEMBL4151262 0.80 GAA (0.34) EPHX2MEN1GAAKMT2A
SCHEMBL7437999 0.78 MAPT (0.38) CA12CA2CA14DGAT1
SCHEMBL1696853 0.77 CA12 (0.41) CA12CA2CA14EPHX2CTSL
SCHEMBL7431988 0.77 MAPT (0.40) CA12CA2CA14EPHX2DGAT1
SCHEMBL5836128 0.77 GHSR (0.48) PTPRC
SCHEMBL22529222 0.75 CYP4F2 (0.31) CTSLDGAT1MEN1GAAKMT2A
SCHEMBL7437988 0.74 SMN1; SMN2 (0.34) MEN1GAAKMT2A
SCHEMBL7433540 0.74 MEN1 (0.33) MEN1GAAKMT2A
SCHEMBL9264109 0.74 KDM4E (0.50) KMT2A

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B CA12 2541/4885CA2 1118/4885CA14 3389/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CA12 2296/4885CA2 1273/4885CA14 3094/4885

“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.