SCHEMBL1773200

SCHEMBL1773200

O=S(=O)(Oc1ccc(-c2cccc3cnccc23)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.44
SLC22A12 Q96S37 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
KDR P35968 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PPARD Q03181 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
KCNA3 P22001 1/20 0.38
FASN P49327 1/20 0.38

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
SCHEMBL1773202 0.82 SLC22A12 (0.44) TNFSLC22A12KDM4EMAPKAPK2KDR
SCHEMBL2423484 0.80 KCNA3 (0.48) KDM4EMAPKAPK2CYP2C9CYP2C19TRPV1
SCHEMBL1773802 0.76 ENPP1 (0.54) KDM4ELMNACYP3A4CYP2D6
SCHEMBL9988773 0.76 CA1 (0.46) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL12074747 0.76 TNF (0.69) TNFSLC22A12KDM4EMAPKAPK2CYP2C9
SCHEMBL6998015 0.75 TNF (0.73) TNFSLC22A12KDM4EMAPKAPK2KDR
SCHEMBL12074737 0.75 PPARG (0.40) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL8011307 0.75 CA12 (0.56) SLC22A12KDR
SCHEMBL10160721 0.75 PPARG (0.46) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL17754455 0.75 PPARG (0.41) PPARGPPARACYP2C9CYP2C19PPARD

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 TNF 2732/4885SLC22A12 2318/4885KDM4E 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.