SCHEMBL9998742

SCHEMBL9998742

Cc1c([N+](=O)[O-])cc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
CCR6 P51684 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 7/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 3/20 0.41
RECQL P46063 1/20 0.41
GPR35 Q9HC97 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37

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
SCHEMBL8023115 0.81 TDP1 (0.41) TDP1CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL29379293 0.80 TSHR (0.56) TDP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL9998849 0.80 TSHR (0.56) TDP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL4748223 0.76 TDP1 (0.54) TDP1CCR6CYP1A2TSHRALDH1A1
SCHEMBL994270 0.75 ALDH1A1 (0.66) TDP1CCR6CYP1A2TSHRALDH1A1
SCHEMBL260768 0.75 GPR35 (0.67) TDP1CCR6CYP1A2TSHRALDH1A1
SCHEMBL9998739 0.75 CA1 (0.50) TDP1CYP1A2TSHRALDH1A1KMT2A
SCHEMBL18956859 0.75 MAPT (0.51) TDP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL30072759 0.75 MAPT (0.51) TDP1TSHRALDH1A1CYP3A4RECQL
Trinitrotoluene SCHEMBL20676 0.73 ALDH1A1 (0.61) TDP1CCR6CYP1A2TSHRALDH1A1

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-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates UBE INDUSTRIES, LTD. (JP) 2011-12-08 US claimed
US-20160096852-A1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and Analogs UNIVERSITY OF NORTH FLORIDA (US) 2016-04-07 US disclosed
US-9284336-B1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and analogs UNIVERSITY OF NORTH FLORIDA (US) 2016-03-15 US disclosed
US-9238660-B1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and analogs and their application for the preparation of SF5-aromatics UNIVERSITY OF NORTH FLORIDA (US) 2016-01-19 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
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 (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-20160096852-A1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and Analogs HCK, NEK5, SIK2 TDP1 2118/4885CCR6 1794/4885CYP1A2 2336/4885
US-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates DPYD, FDPS, BLVRB TDP1 1727/4885CCR6 1899/4885CYP1A2 471/4885

“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.