SCHEMBL14458076

SCHEMBL14458076

COc1nc(OS(=O)(=O)C(F)(F)F)cc(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR6 P50406 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
EDNRB P24530 2/20 0.33

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
SCHEMBL2451989 0.88 LMNA (0.36) LMNATDP1SMN1; SMN2PDE4APDE4C
SCHEMBL12330441 0.86 LMNA (0.33) LMNATDP1SMN1; SMN2PDE4APDE4C
SCHEMBL13998050 0.81 HSD17B10 (0.34) LMNATDP1HSD17B10CA1CA2
SCHEMBL152920 0.76 KDM4E (0.42) LMNASMN1; SMN2PDE4APDE4CPDE4D
SCHEMBL20243530 0.74 CA1 (0.38) SMN1; SMN2PDE4APDE4CPDE4DALDH1A1
SCHEMBL7384969 0.74 KMT2A (0.41) LMNASMN1; SMN2PDE4APDE4CPDE4D
SCHEMBL941919 0.74 PDE4A (0.37) SMN1; SMN2PDE4APDE4CPDE4DALDH1A1
SCHEMBL5665844 0.72 ALOX15 (0.50) LMNASMN1; SMN2PDE4DHSD17B10ALDH1A1
SCHEMBL14927093 0.72 PDE4A (0.37) PDE4APDE4CPDE4DCA1CA2
SCHEMBL1314787 0.71 PDE4A (0.41) SMN1; SMN2PDE4APDE4CPDE4DCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005728-A1 SUBSTITUTED PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2013-01-03 US disclosed
US-20130005728-A1 SUBSTITUTED PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2013-01-03 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-20130005728-A1 SUBSTITUTED PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR, PTGDR2, PTGER2 LMNA 4374/4885TDP1 2234/4885SMN1; SMN2 3002/4885

“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.