SCHEMBL9998739

SCHEMBL9998739

O=C(O)c1c([N+](=O)[O-])cc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP6 P55212 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.38
DTYMK P23919 1/20 0.38
HCAR3 P49019 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
TPMT P51580 1/20 0.35

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
SCHEMBL8031398 0.77 DTYMK (0.45) TSHRTDP1CASP6LMNAHTT
SCHEMBL8023115 0.76 TDP1 (0.41) TSHRTDP1CYP1A2LMNAKMT2A
SCHEMBL1649527 0.76 CA1 (0.79) CA1CA2TSHRTDP1L3MBTL1
SCHEMBL28401769 0.76 CASP6 (0.62) CA1CA2TSHRTDP1L3MBTL1
Hydrochloric Acid SCHEMBL28407796 0.75 CASP6 (0.60) CA1CA2TSHRTDP1L3MBTL1
SCHEMBL11529139 0.75 CA1 (0.76) CA1CA2TSHRTDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL8646817 0.75 CA1 (0.76) CA1CA2TSHRTDP1L3MBTL1
SCHEMBL1286322 0.75 GPR35 (0.61) CA1CA2TSHRTDP1L3MBTL1
SCHEMBL9998742 0.75 TDP1 (0.48) TSHRTDP1L3MBTL1CYP1A2LMNA
SCHEMBL21814270 0.74 DTYMK (0.57) TSHRTDP1L3MBTL1CASP6LMNA

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-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates UBE INDUSTRIES, LTD. (JP) 2011-12-08 US claimed
US-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates UBE INDUSTRIES, LTD. (JP) 2011-12-08 US disclosed
US-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates UBE INDUSTRIES, LTD. (JP) 2011-12-08 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-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates DPYD, FDPS, BLVRB CA1 4363/4885CA2 4784/4885TSHR 3083/4885

“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.