SCHEMBL1970698

SCHEMBL1970698

O=[N+]([O-])c1cc(S)ccc1S

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.39
TSHR P16473 6/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 7/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
GPR35 Q9HC97 3/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL28618 0.80 TDP1 (0.61) TSHRTDP1ALDH1A1MAPK1MEN1
SCHEMBL2257975 0.78 MAPK1 (0.59) TSHRTDP1ALDH1A1MAPK1POLB
SCHEMBL9017796 0.78 TSHR (0.60) TSHRCYP3A4TDP1ALDH1A1MAPK1
SCHEMBL28102714 0.78 CASP6 (0.37) CASP6TSHRCYP3A4TDP1ALDH1A1
SCHEMBL12020165 0.78 ALDH1A1 (0.62) CASP6TSHRTDP1ALDH1A1MAPK1
SCHEMBL686890 0.78 TDP1 (0.59) CASP6TSHRCYP3A4TDP1ALDH1A1
SCHEMBL7341303 0.78 ALDH1A1 (0.64) TSHRCYP3A4TDP1ALDH1A1MAPK1
SCHEMBL489333 0.78 S100A4 (0.49) CASP6TSHRCYP3A4TDP1ALDH1A1
SCHEMBL6523809 0.78 TSHR (0.67) TSHRCYP3A4TDP1ALDH1A1MAPK1
SCHEMBL9073528 0.78 GPR35 (0.62) TSHRCYP3A4ALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334661-B1 PROCESSES FOR PREPARING POLY(PENTAFLUOROSULFANYL)AROMATIC COMPOUNDS UBE INDUSTRIES (JP) 2017-08-30 EP disclosed
US-8653302-B2 Processes for preparing poly(pentafluorosulfanyl)aromatic compounds UBE INDUSTRIES, LTD. (JP) 2014-02-18 US disclosed
US-20110166392-A1 Processes for Preparing Poly(Pentafluorosulfanyl)Aromatic Compounds UBE INDUSTRIES, LTD. (JP) 2011-07-07 US disclosed
EP-2334661-A1 PROCESSES FOR PREPARING POLY(PENTAFLUOROSULFANYL)AROMATIC COMPOUNDS Ube Industries, Ltd. (JP) 2011-06-22 EP disclosed
WO-2010033930-A1 PROCESSES FOR PREPARING POLY(PENTAFLUOROSULFANYL)AROMATIC COMPOUNDS IM&T RESEARCH, INC. (US) 2010-03-25 WO disclosed
US-3979369-A DIENE POLYMER MONSANTO COMPANY (US) 1976-09-07 US disclosed
US-3974163-A VULCANIZATION INHIBITOR MONSANTO COMPANY (US) 1976-08-10 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-20110166392-A1 Processes for Preparing Poly(Pentafluorosulfanyl)Aromatic Compounds PFAS, PUF60, FES CASP6 3028/4885TSHR 1592/4885CYP3A4 2580/4885

“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.