SCHEMBL906472

SCHEMBL906472

O=[N+]([O-])c1cc[c]cc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
F2 P00734 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.37
PLCG1 P19174 1/20 0.37
DNMT1 P26358 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
SCHEMBL8002521 0.86 KMT2A (0.43) KMT2AMEN1CA1CA2MMP1
SCHEMBL5663517 0.74 TTR (0.32) ALDH1A1NT5E
SCHEMBL57882 0.74 TSHR (0.40) KMT2AMEN1ALDH1A1TDP1CASP6
SCHEMBL8901063 0.73 TET2 (0.33)
SCHEMBL151052 0.73 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL158733 0.73 GPR35 (0.47) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL9754556 0.73 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL407090 0.73 TDP1 (0.48) KMT2AMEN1ALDH1A1TDP1HPGD
SCHEMBL63933 0.73 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
Ammonia Solution, Strong SCHEMBL7053051 0.72 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 US claimed
CN-105452398-B Composition for ink, ink jet recording method and tingle body using this composition for ink 日本化药株式会社 2018-07-10 CN disclosed
CN-105602279-B Tetraazatetradecane porphyrin pigment, printing ink composition, recording method and tingle body 日本化药株式会社 2018-06-15 CN disclosed
CN-107012695-A Ink-jet cloth printing penetrating fluid, ink jet printing method and ink-jet printing device 精工爱普生株式会社 2017-08-04 CN disclosed
US-20160114052-A1 POTENT CONJUGATES AND HYDROPHILIC LINKERS IMMUNOGEN, INC. (US) 2016-04-28 US disclosed
US-9150649-B2 Potent conjugates and hydrophilic linkers IMMUNOGEN, INC. (US) 2015-10-06 US disclosed
US-20120226026-A1 POTENT CONJUGATES AND HYDROPHILIC LINKERS IMMUNOGEN, INC. (US) 2012-09-06 US disclosed
EP-2486023-A1 POTENT CONJUGATES AND HYDROPHILIC LINKERS ImmunoGen, Inc. (US) 2012-08-15 EP disclosed
EP-1521808-B1 COMPOSITIONS AND INKS CONTAINING DISAZO DYES FUJIFILM IMAGING COLORANTS LTD (GB) 2012-08-01 EP disclosed
EP-2276506-A1 POTENT CONJUGATES AND HYDROPHILIC LINKERS Immunogen, Inc. (US) 2011-01-26 EP disclosed
US-20060017791-A1 Compositions and inks containing disazo dyes AVECIA INKJET LIMITED (GB) 2006-01-26 US disclosed
EP-1521808-A1 COMPOSITIONS AND INKS CONTAINING DISAZO DYES Avecia Limited (GB) 2005-04-13 EP disclosed
WO-2003104332-A1 COMPOSITIONS AND INKS CONTAINING DISAZO DYES AVECIA LIMITED (GB) 2003-12-18 WO disclosed
EP-0559310-B1 Ink compositions ZENECA LTD (GB) 1996-04-03 EP disclosed
US-5383960-A Ink jet printing inks ZENECA LIMITED (GB) 1995-01-24 US disclosed
EP-0559310-A1 Ink compositions ZENECA LIMITED (GB) 1993-09-08 EP disclosed
EP-0187520-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-24 EP disclosed
US-4777248-A Water-soluble non-reactive triazinyl mono-azo dye for ink jet printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-11 US disclosed
US-4726844-A LIGHTFASTNESS CANON KABUSHIKI KAISHA (JP) 1988-02-23 US disclosed
EP-0187520-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-16 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 (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-20120226026-A1 POTENT CONJUGATES AND HYDROPHILIC LINKERS CD44, EPCAM, ABCG2 KMT2A 3226/4885MEN1 2532/4885CA1 1050/4885
US-20160114052-A1 POTENT CONJUGATES AND HYDROPHILIC LINKERS CD44, EPCAM, ABCG2 KMT2A 3226/4885MEN1 2532/4885CA1 1050/4885

“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.