SCHEMBL7167368

SCHEMBL7167368

CC(C)CCCCCCCCCCCCC(=O)C(F)(F)Oc1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
FAAH O00519 4/20 0.35
CES1 P23141 3/20 0.35
CTSB P07858 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL15557930 0.70 SLC2A1 (0.41) GRM2MEN1CYP1A2POLBCYP3A4
SCHEMBL6785054 0.68 CES2 (0.39) GRM2CES1KMT2A
SCHEMBL16756224 0.67 MEN1 (0.50) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL16756207 0.67 MEN1 (0.50) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL16756216 0.67 MEN1 (0.50) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL16756225 0.67 MEN1 (0.50) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL15547673 0.66 SLC2A1 (0.42) GRM2MEN1KMT2A
SCHEMBL16756197 0.65 MEN1 (0.51) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL6139092 0.64 POLM (0.44) HDAC1HDAC2MEN1CYP1A2POLB
SCHEMBL28020713 0.64 GRM2 (0.52) GRM2CTSB

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-6544951-B2 Antiinflammatory agents; autoimmune diseases, nervous system degradation IDUN PHARMACEUTICALS, INC. 2003-04-08 US disclosed
US-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-03-07 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-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP GRM2 4174/4885FAAH 2848/4885CES1 1137/4885

“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.