SCHEMBL21386076

SCHEMBL21386076

CNCCNS(=O)(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
PTPN11 Q06124 1/20 0.31
GRIA4 P48058 1/20 0.30
PRMT6 Q96LA8 1/20 0.30

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
SCHEMBL12789664 0.87 EPHX1 (0.60) EPHX1CA2CA1MEN1HTT
SCHEMBL22876809 0.81 EPHX1 (0.40) EPHX1CA2CA1
SCHEMBL12789674 0.81 EPHX1 (0.55) EPHX1CA2CA1MEN1HTT
SCHEMBL7023194 0.78 EPHX1 (0.69) EPHX1CA2CA1MEN1HTT
SCHEMBL25955799 0.77 EPHX1 (0.52) EPHX1CA2CA1MEN1HTT
SCHEMBL17987909 0.76 EPHX1 (0.50) EPHX1CA2CA1MEN1HTT
SCHEMBL20079220 0.76 EPHX1 (0.50) EPHX1CA2CA1MEN1HTT
SCHEMBL14365951 0.76 EPHX1 (0.46) EPHX1CA2CA1MEN1HTT
SCHEMBL606518 0.75 EPHX1 (0.54) EPHX1CA2CA1MEN1HTT
SCHEMBL12206783 0.74 EPHX1 (0.53) EPHX1CA2CA1MEN1HTT

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-11078189-B2 Pharmaceutical compounds ReViral Limited (GB) 2021-08-03 US disclosed
US-20200172515-A1 PHARMACEUTICAL COMPOUNDS SILICON VALLEY BANK 2020-06-04 US disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP 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 (2 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-11078189-B2 Pharmaceutical compounds HRH4, CHRM5, CHRM1 EPHX1 3571/4885CA2 565/4885CA1 3638/4885
US-20200172515-A1 PHARMACEUTICAL COMPOUNDS HRH4, CHRM5, CHRM1 EPHX1 3571/4885CA2 565/4885CA1 3638/4885

“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.