SCHEMBL9471024

SCHEMBL9471024

O=S(=O)(Oc1ccc(OS(=O)(=O)C(F)(F)F)c(-c2ccccc2)c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
CHRM1 P11229 4/20 0.40
DRD4 P21917 3/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
BACE1 P56817 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
STS P08842 1/20 0.37
HSD11B1 P28845 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
HDAC4 P56524 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
Trifluoromethanesulfonic Acid SCHEMBL9470313 0.94 PTGDR2 (0.40) DRD2DRD3CHRM1DRD4PTGDR2
SCHEMBL29458425 0.87 SLC6A9 (0.44) PTGDR2ADORA2AADORA1CA1CA2
SCHEMBL14176469 0.84 PTGDR2 (0.51) PTGDR2ADORA2AADORA1CA1CA2
SCHEMBL17410657 0.84 PTGDR2 (0.51) PTGDR2ADORA2AADORA1BACE1
SCHEMBL26870524 0.84 GPR84 (0.50) PTGDR2ADORA2AADORA1CA1CA2
SCHEMBL367003 0.83 DRD2 (0.42) DRD2DRD3DRD4HTR1D
SCHEMBL23790500 0.82 GPR84 (0.44) DRD2DRD3DRD4PTGDR2ADORA2A
SCHEMBL15116983 0.81 BACE1 (0.37) DRD2PTGDR2ADORA2AADORA1CA1
SCHEMBL23303454 0.81 LMNA (0.39) PTGDR2ADORA2AADORA1CA1CA2
SCHEMBL31596070 0.81 HTT (0.41) DRD2DRD3CHRM1DRD4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634447-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-25 US disclosed
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMA (US) 2022-05-05 US disclosed
US-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 US disclosed
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-08-18 US disclosed
EP-2935302-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2015-10-28 EP disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
WO-2014100158-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-26 WO disclosed
WO-2014100158-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-26 WO disclosed
US-5241044-A Soluble poly(p-phenylene)s EDISON POLYMER INNOVATION CORPORATION (US) 1993-08-31 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 (4 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-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MPI, MANBA, MAN2A1 DRD2 3063/4885DRD3 3282/4885CHRM1 1445/4885
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 DRD2 3063/4885DRD3 3282/4885CHRM1 1445/4885
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 DRD2 3063/4885DRD3 3282/4885CHRM1 1445/4885
US-11634447-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 DRD2 3063/4885DRD3 3282/4885CHRM1 1445/4885

“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.