SCHEMBL4904953

SCHEMBL4904953

O=S(=O)(O)c1ccc2c(S(=O)(=O)O)[c]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CASP6 P55212 4/20 0.47
CYP2C9 P11712 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP2C19 P33261 2/20 0.47
NSD2 O96028 3/20 0.41
NT5E P21589 2/20 0.41
DUSP3 P51452 2/20 0.41
PTPN5 P54829 2/20 0.41
PTPN11 Q06124 2/20 0.41
CYP1A2 P05177 3/20 0.39
PRMT1 Q99873 1/20 0.39
SNCA P37840 2/20 0.38
HIF1A Q16665 3/20 0.37
TSHR P16473 1/20 0.37
PTPRA P18433 1/20 0.37
PTPRB P23467 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
RHOA P61586 1/20 0.36
TDP1 Q9NUW8 3/20 0.36

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
SCHEMBL6631900 0.86 ALDH1A1 (0.47) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL9743304 0.86 ALDH1A1 (0.37) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL6631398 0.83 ALDH1A1 (0.47) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL11315411 0.81 CASP6 (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL6184269 0.81 MPL (0.39) CASP6HSD17B10NSD2NT5EDUSP3
SCHEMBL7048887 0.79 PTPN1 (0.45) ALDH1A1CYP2C9HSD17B10CYP2C19TSHR
SCHEMBL760004 0.77 CYP2D6 (0.39) ALDH1A1CYP2C9HSD17B10CYP2C19CYP1A2
SCHEMBL6180539 0.76 SLC2A1 (0.41) CYP1A2
SCHEMBL5465505 0.75 CYP2D6 (0.38) ALDH1A1CYP2C9HSD17B10CYP2C19CYP1A2
SCHEMBL1286661 0.75 ALDH1A1 (0.39) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119643-A1 4,4'-Diazobenzanilide Dyestuffs LENNARTZ MICHAEL 2008-05-22 US disclosed
CN-101040010-A 4,4'-diazobenzanilide dyestuffs CIBA SC HOLDING AG (CH) 2007-09-19 CN disclosed
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed
EP-1041122-B1 Reactive dyes, process for their preparation and their use CIBA SC HOLDING AG (CH) 2004-05-06 EP disclosed
EP-0765965-B1 Process for deying synthetic fibrous polyamid materials DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-06-04 EP disclosed
EP-0974622-B1 Mixture of water soluble reactive azo dyes, process to manufacture it and its use DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-11-20 EP disclosed
US-6451072-B1 COLORFASTNESS CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US disclosed
US-5214207-A Intermediates for reactive dyes BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5182371-A Yellow shades on cotton BASF AKTIENGESELLSCHAFT (DE) 1993-01-26 US disclosed
EP-0515844-A1 Phenylazo- or naphthylazobenzenes with several reactive groups BASF Aktiengesellschaft (DE) 1992-12-02 EP disclosed
EP-0503385-A1 Double phenylazo- or naphthylazobenzenes with several reactive groups as well as their intermediate products BASF Aktiengesellschaft (DE) 1992-09-16 EP disclosed
US-5091516-A PHENYL- OR NAPHTHYLAZOBENZENES WITH MULTIPLE REACTIVE GROUPS AND INTERMEDIATES THEREFOR BASF AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0303081-B1 WATER SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
US-5055565-A Fiber-reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed
EP-0437699-A1 Phenylazo- or naphthylazobenzene with several reactive groups as well as their intermediate products BASF Aktiengesellschaft (DE) 1991-07-24 EP disclosed
US-5003053-A Water-soluble monoazo compounds containing a p-aminophenylamino- and chloro- or fluoro-substituted triazinylamino group and a fiber-reactive group selected from the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
EP-0303081-A1 Water soluble disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-15 EP 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-20080119643-A1 4,4'-Diazobenzanilide Dyestuffs CYP4B1, TYR, DDT ALDH1A1 155/4885CASP6 1774/4885CYP2C9 28/4885

“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.