SCHEMBL4238554

SCHEMBL4238554

CC(C)CC1CC(O)=C(C(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
USP30 Q70CQ3 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
IDO1 P14902 1/20 0.36
AR P10275 3/20 0.36
HDAC11 Q96DB2 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
SCHEMBL4244319 0.85 TRPV1 (0.41) EPHX2TRPV1
SCHEMBL4246942 0.84 TRPV1 (0.40) USP30TRPV1CLK2DYRK1ASLC6A3
SCHEMBL13743662 0.83 EPHX2 (0.41) EPHX2USP30TRPV1CLK2DYRK1A
SCHEMBL4238268 0.80 TRPV1 (0.42) EPHX2TRPV1HDAC11
SCHEMBL13743546 0.78 KMT2A (0.44)
SCHEMBL24168453 0.77 SLC6A3 (0.44) SLC6A3KCNH2TAAR1
SCHEMBL30299485 0.77 SLC6A3 (0.44) SLC6A3KCNH2TAAR1
SCHEMBL4542615 0.75 DEGS1 (0.46) HDAC11
SCHEMBL4246954 0.75 NPY5R (0.44)
SCHEMBL4242180 0.74 MAPT (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 EPHX2 1263/4885USP30 1325/4885TRPV1 1897/4885

“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.