SCHEMBL21180484

SCHEMBL21180484

Cc1c(F)cc(OC(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.40
GPR3 P46089 4/20 0.38
GRIN2B Q13224 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
F10 P00742 1/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL23099878 0.89 PDE2A (0.37) PDE2AGPR3GRIN2BFFAR4F10
SCHEMBL10976439 0.80 PDE2A (0.37) PDE2AGPR3FFAR4F10PTGS1
SCHEMBL900910 0.80 PDE2A (0.47) PDE2AGPR3FFAR4ALOX5APFEN1
SCHEMBL15189277 0.78 FFAR4 (0.42) GPR3GRIN2BFFAR4PTGS1PTGS2
SCHEMBL19660216 0.77 FFAR4 (0.36) PDE2AGPR3FFAR4PTGS1PTGS2
SCHEMBL17157399 0.76 GPR3 (0.42) PDE2AGPR3FFAR4ALOX5APFEN1
SCHEMBL3184782 0.76 GPR3 (0.38) PDE2AGPR3GRIN2BFFAR4PTGS1
SCHEMBL28042104 0.76 ALOX5AP (0.39) PDE2AGPR3HDAC1HDAC6ALOX5AP
SCHEMBL8461879 0.76 GPR3 (0.38) PDE2AGPR3GRIN2BFFAR4HDAC1
SCHEMBL21180470 0.76 PDE2A (0.41) PDE2AGPR3PTGS1PTGS2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357493-B2 Metalloenzyme inhibitor compounds SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) 2019-07-23 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-10357493-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 PDE2A 3658/4885GPR3 4762/4885GRIN2B 703/4885

“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.