SCHEMBL1970696

SCHEMBL1970696

O=[N+]([O-])c1cccc(S)c1S

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.54
▸ GPR35 Q9HC97 2/20 0.52
▸ TSHR P16473 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ S100A4 P26447 2/20 0.46
▸ PTPRC P08575 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40

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
Alcohol SCHEMBL10785693 0.89 TDP1 (0.47) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL3071233 0.88 TDP1 (0.61) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL28593 0.81 HSD17B10 (0.54) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL5476351 0.81 HSD17B10 (0.54) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL942997 0.80 TSHR (0.59) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL8129828 0.80 TSHR (0.59) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL28196311 0.79 HSD17B10 (0.52) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL27803911 0.79 HSD17B10 (0.52) TDP1GPR35TSHRALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28887121 0.79 HSD17B10 (0.52) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL2000175 0.78 TDP1 (0.50) TDP1GPR35TSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4374809-A MERCAPTOAROMATIC COMPLEXING AGENT GTE LABORATORIES INCORPORATED (US) 1983-02-22 — — US claimed
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-5028467-A Dithiolate metal complex compound, production method of the same, and optical information recording medium comprising the same RICOH COMPANY, LTD. (JP) 1991-07-02 — — US disclosed
US-4374809-A MERCAPTOAROMATIC COMPLEXING AGENT GTE LABORATORIES INCORPORATED (US) 1983-02-22 — — US 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 TDP1 2173/4885GPR35 3224/4885TSHR 1592/4885

“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.

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