SCHEMBL1773202

SCHEMBL1773202

O=S(=O)(Oc1ccccc1-c1cccc2cnccc12)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.44
KCNA3 P22001 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
CYP17A1 P05093 2/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
MEN1 O00255 2/20 0.39
PRKD3 O94806 2/20 0.39
PRKCG P05129 2/20 0.39
PRKCB P05771 2/20 0.39
PRKCA P17252 2/20 0.39
NFKB1 P19838 2/20 0.39
PRKCH P24723 2/20 0.39
PRKCI P41743 2/20 0.39
PRKCE Q02156 2/20 0.39
KMT2A Q03164 2/20 0.39
PRKCQ Q04759 2/20 0.39

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
SCHEMBL2423484 0.88 KCNA3 (0.48) KCNA3KDM4EMAPKAPK2CYP3A4CYP2D6
SCHEMBL1773200 0.82 TNF (0.44) SLC22A12KCNA3KDM4EMAPKAPK2IKBKE
SCHEMBL7023211 0.78 DRD2 (0.42) SLC22A12KDM4EKMT2A
SCHEMBL16926997 0.77 DRD2 (0.41) SLC22A12KDM4EMEN1KMT2ALMNA
SCHEMBL1423686 0.76 CYP11B1 (0.41) SLC22A12TP53SMN1; SMN2PTGS1PTGS2
SCHEMBL1773804 0.76 METAP2 (0.53) KDM4ELMNA
SCHEMBL7795700 0.75 DRD2 (0.44) KDM4EMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL14639947 0.75 IKBKE (0.48) SLC22A12KCNA3KDM4EMAPKAPK2IKBKE
SCHEMBL18318687 0.75 PTGS1 (0.38) SLC22A12KDM4EMAPKAPK2CYP3A4CYP2D6
SCHEMBL13299968 0.74 CES1 (0.35) MEN1KMT2AHIF1ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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 (1 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 SLC22A12 2318/4885KCNA3 3212/4885KDM4E 377/4885

“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.