SCHEMBL5568440

SCHEMBL5568440

CC(C)(C)OC(=O)N1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.37
EPHX2 P34913 1/20 0.36
PIK3R1 P27986 6/20 0.36
PIK3CA P42336 6/20 0.36
CYP11B2 P19099 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 4/20 0.35
CA14 Q9ULX7 1/20 0.35
SCD5 Q86SK9 1/20 0.35
HDAC1 Q13547 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL1684623 0.94 EPHX2 (0.40) HDAC2EPHX2USP2SMN1; SMN2CA14
SCHEMBL5567244 0.88 HDAC2 (0.39) HDAC2EPHX2PIK3R1PIK3CACYP11B2
SCHEMBL1586974 0.82 EPHX2 (0.43) HDAC2EPHX2USP2SMN1; SMN2HDAC1
SCHEMBL5571339 0.82 NAMPT (0.34) EPHX2
SCHEMBL15286297 0.81 USP2 (0.41) HDAC2EPHX2USP2SMN1; SMN2CA14
SCHEMBL13549258 0.81 USP2 (0.41) HDAC2EPHX2USP2SMN1; SMN2CA14
SCHEMBL19331998 0.79 CNR2 (0.38) HDAC2EPHX2PIK3R1PIK3CAUSP2
SCHEMBL23214690 0.79 USP2 (0.39) HDAC2EPHX2USP2SMN1; SMN2RORC
SCHEMBL19331794 0.78 PIK3R1 (0.36) HDAC2EPHX2PIK3R1PIK3CAUSP2
SCHEMBL19331746 0.78 JAK2 (0.41) PIK3R1PIK3CAJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202246-B2 Spiro-rifamycin derivatives targeting RNA polymerase CUMBRE PHARMACEUTICALS INC. (US) 2007-04-10 US disclosed
US-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria CUMBRE INC. (US) 2005-12-15 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 (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-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria RIF1, MAPRE1, MAPRE2 HDAC2 25/4885EPHX2 3471/4885PIK3R1 3960/4885

“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.