SCHEMBL2749974

SCHEMBL2749974

FC(F)(F)c1ccc(C(F)(F)F)c(-c2n[c]cs2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.37
MPL P40238 2/20 0.36
CYP2C9 P11712 2/20 0.32
SCN9A Q15858 2/20 0.32
PTPN5 P54829 1/20 0.32
SCN5A Q14524 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP24A1 Q07973 1/20 0.31
JAK2 O60674 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EPHX2 P34913 1/20 0.30
SCN4A P35499 1/20 0.30
PKM P14618 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2750143 0.88 CES2 (0.37) CES2MPLCYP2C9SCN9APTPN5
SCHEMBL2897475 0.79 HSD11B1 (0.45) MPLSCN9A
SCHEMBL2092788 0.75 KIF11 (0.44) KDM4ENPSR1
SCHEMBL2752090 0.74 NOTUM (0.41) MPL
SCHEMBL2894960 0.74 HSD11B1 (0.39) SCN9ASCN5ACYP2D6KDM4E
SCHEMBL9568808 0.73 ALDH1A1 (0.45) KDM4E
SCHEMBL2751533 0.72 CES2 (0.37) CES2MPLCYP2C9SCN9APTPN5
SCHEMBL2753720 0.72 HSD11B1 (0.42) MPLSCN9A
SCHEMBL2750792 0.72 CES2 (0.34) CES2
SCHEMBL2753490 0.71 IKBKB (0.36) CES2

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-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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 (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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 CES2 3193/4885MPL 1381/4885CYP2C9 1148/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 CES2 2811/4885MPL 4626/4885CYP2C9 384/4885

“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.