SCHEMBL691617

SCHEMBL691617

O=S(=O)(O)c1[c]cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1828766 0.81 HSD11B1 (0.33) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL5510640 0.81 CA1 (0.35) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL483018 0.78 SMN1; SMN2 (0.34) ALDH1A1TSHRSMN1; SMN2TDP1LMNA
SCHEMBL692167 0.78 TTR (0.38) TSHRSMN1; SMN2
SCHEMBL693708 0.77 ALDH1A1 (0.31) ALDH1A1TSHRCYP3A4THRBHPGD
SCHEMBL696313 0.77 TSHR (0.33) ALDH1A1TSHRSMN1; SMN2
SCHEMBL458583 0.77 TTR (0.41) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5146133 0.76 HTR6 (0.46) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5152547 0.74 GABRA1 (0.39) ALDH1A1TSHRSMN1; SMN2THRB
SCHEMBL10936452 0.74 CES1 (0.30) CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071985-B1 WATER-SOLUBLE MONO-AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-20 EP claimed
EP-0071985-A2 Water-soluble mono-azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP claimed
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US claimed
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
US-7988740-B2 Keratin dyeing compositions comprising a radical scavenger and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-08-02 US disclosed
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed
EP-0072557-B1 WATER-SOLUBLE AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-20 EP disclosed
EP-0071985-B1 WATER-SOLUBLE MONO-AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-20 EP disclosed
EP-0072557-A2 Water-soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-23 EP disclosed
EP-0071985-A2 Water-soluble mono-azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP disclosed
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-3891618-A Azo-dyestuffs containing {60 ,{62 -dichloropropionylamino or {60 ,{62 -dibromopropionylamino groups CIBA GEIGY AG 1975-06-24 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-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof KRT18, LPO, CYB5R3 ALDH1A1 326/4885TSHR 4803/4885SMN1; SMN2 4719/4885

“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.