SCHEMBL2749869

SCHEMBL2749869

FC(F)(F)c1ccc(-c2c[c]oc2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
NOTUM Q6P988 2/20 0.39
KIF11 P52732 10/20 0.36
AR P10275 4/20 0.33
PIK3CD O00329 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL5535912 0.76 KIF11 (0.48) NOTUMKIF11
SCHEMBL2753512 0.75 CES2 (0.38)
SCHEMBL2751765 0.73 PDK2 (0.33)
SCHEMBL2752197 0.72 RXRA (0.38) RXRARXRBRXRG
SCHEMBL5540237 0.71 SCN9A (0.44) NOTUMAR
SCHEMBL2751432 0.71 EDNRB (0.40)
SCHEMBL2753529 0.71 AR (0.37) AR
SCHEMBL3537438 0.69 RXRA (0.50) RXRARXRBRXRGNOTUMKIF11
SCHEMBL2751446 0.69 NOTUM (0.47) RXRARXRBRXRGNOTUMKIF11
SCHEMBL4043615 0.69 NPC1 (0.37) NOTUM

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 RXRA 4567/4885RXRB 4758/4885RXRG 4834/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 RXRA 3505/4885RXRB 3867/4885RXRG 3977/4885

“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.