SCHEMBL13530863

SCHEMBL13530863

COc1ccccc1S(=O)(=O)Nc1nc(O)ncc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.48
SLC40A1 Q9NP59 1/20 0.48
KAT6A Q92794 1/20 0.46
PKM P14618 1/20 0.46
CCR4 P51679 4/20 0.45
ALPL P05186 8/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NFE2L2 Q16236 1/20 0.43
AURKA O14965 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13530865 0.81 CCR4 (0.49) ACLYSLC40A1PKMCCR4POLB
SCHEMBL3178506 0.78 SLC40A1 (0.46) SLC40A1CCR4POLBLMNA
SCHEMBL13383682 0.74 RXFP1 (0.54) PKMSMN1; SMN2
SCHEMBL13530864 0.72 GLO1 (0.40) AURKA
SCHEMBL3175535 0.70 CCR4 (0.46) SLC40A1CCR4ALDH1A1LMNA
SCHEMBL10044457 0.69 RXFP1 (0.71) SLC40A1ALPLALDH1A1POLBNFE2L2
SCHEMBL21609145 0.69 KAT6A (0.56) ACLYKAT6A
SCHEMBL12393189 0.69 ACLY (0.58) ACLYSLC40A1PKMALDH1A1POLB
SCHEMBL7364604 0.68 CA12 (0.59) ACLYPKMALDH1A1LMNASMN1; SMN2
SCHEMBL13530868 0.68 CCR4 (0.34) CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ACLY 4336/4885SLC40A1 3283/4885KAT6A 3758/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ACLY 4336/4885SLC40A1 3283/4885KAT6A 3758/4885

“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.