SCHEMBL16248402

SCHEMBL16248402

CC(N[S+]([O-])C(C)(C)C)(C(=O)O)c1cc(Br)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
AR P10275 1/20 0.34
PTGFR P43088 5/20 0.33
BACE1 P56817 1/20 0.33
RBP4 P02753 1/20 0.32
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 3/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DGAT1 O75907 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
MMP1 P03956 1/20 0.31

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
SCHEMBL2584644 0.84 AR (0.35) PTGDR2ARPTGFRBACE1RBP4
SCHEMBL16248400 0.83 BACE1 (0.36) PTGDR2BACE1ALDH1A1NPC1LMNA
SCHEMBL15028738 0.83 PTGDR2 (0.34) PTGDR2ARPTGFRBACE1RBP4
SCHEMBL17364083 0.81 PTGDR2 (0.38) PTGDR2ARPTGFRBACE1RBP4
SCHEMBL14903801 0.81 RBP4 (0.33) PTGDR2ARPTGFRRBP4ALDH1A1
SCHEMBL15124824 0.81 RBP4 (0.33) PTGDR2ARPTGFRRBP4ALDH1A1
SCHEMBL15124825 0.81 RBP4 (0.33) PTGDR2ARPTGFRRBP4ALDH1A1
SCHEMBL17606998 0.79 PTGDR2 (0.36) PTGDR2PTGFRBACE1RBP4ALDH1A1
SCHEMBL15994984 0.79 BACE1 (0.35) PTGDR2PTGFRBACE1RBP4ALDH1A1
SCHEMBL1172996 0.78 BACE1 (0.31) BACE1ALDH1A1NPC1LMNARAB9A

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-20140343048-A1 6-DIFLUOROMETHYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-11-20 US disclosed
US-20140343048-A1 6-DIFLUOROMETHYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-11-20 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-20140343048-A1 6-DIFLUOROMETHYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES BACE2, BACE1, PSEN2 PTGDR2 2743/4885AR 4679/4885PTGFR 4162/4885

“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.