SCHEMBL4807396

SCHEMBL4807396

Cc1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
MCOLN3 Q8TDD5 1/20 0.54
GPR35 Q9HC97 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NFKBIA P25963 2/20 0.46
RELA Q04206 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
VCAM1 P19320 1/20 0.44
ALDH1A1 P00352 6/20 0.44
THRB P10828 1/20 0.42
GAA P10253 1/20 0.41
KAT2B Q92831 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL27988823 0.98 TSHR (0.56) TSHRCYP3A4MCOLN3GPR35MEN1
Hydrochloric Acid SCHEMBL9734471 0.98 TSHR (0.56) TSHRCYP3A4MCOLN3GPR35MEN1
Nitrobenzene SCHEMBL28208557 0.89 TSHR (0.47) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL7592333 0.86 TSHR (0.58) TSHRCYP3A4MCOLN3GPR35MEN1
SCHEMBL4067424 0.84 TSHR (0.60) TSHRCYP3A4MCOLN3GPR35MEN1
SCHEMBL10619019 0.84 TSHR (0.60) TSHRCYP3A4MCOLN3GPR35MEN1
SCHEMBL137704 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3GPR35MEN1
SCHEMBL9734767 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3GPR35MEN1
SCHEMBL11119285 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3GPR35MEN1
SCHEMBL10515856 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3GPR35MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104556476-B Method of treating reserve salt of sodium m-nitro-p-toluenesulfonate in electroplating wastewater harmlessly 东莞市粤威环保科技有限公司 2017-02-01 CN claimed
CN-108884054-B Compounds for the treatment of proliferative diseases 儿童医学中心公司 2022-08-02 CN disclosed
CN-113860980-A Method for preparing arylamine compound by photoinduced reduction C-N coupling reaction 江苏科技大学 2021-12-31 CN disclosed
CN-108611878-A A kind of colouring method of SLS/SLA composite materials 武汉萨普科技股份有限公司 2018-10-02 CN disclosed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
CN-103941538-B Hardmask surface treatment 罗门哈斯电子材料有限公司 2017-05-24 CN disclosed
CN-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福(国际)股份公司 2017-02-08 CN disclosed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
CN-104556476-B Method of treating reserve salt of sodium m-nitro-p-toluenesulfonate in electroplating wastewater harmlessly 东莞市粤威环保科技有限公司 2017-02-01 CN disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-5565608-A Process for the preparation of 2-(substituted)-4-sulfobenzoic acid ZENECA LIMITED (GB) 1996-10-15 US disclosed
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0345550-A2 High molecular weight arylene sulphide polymers BAYER AG (DE) 1989-12-13 EP disclosed
US-4231958-A AMINOPHENYLENECARBONYL /AND SULFONYL/IMINONAPHTHALENE INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4229370-A INHIBITORS OF THE COMPLEMENT SYSTEM, IMMUNOLOGY AMERICAN CYANAMID COMPANY (US) 1980-10-21 US disclosed
US-4229372-A INHIBITORS OF THE COMPLEMENT SYSTEM, IMMUNOLOGY AMERICAN CYANAMID COMPANY (US) 1980-10-21 US disclosed
EP-0008154-A1 Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation AMERICAN CYANAMID COMPANY (US) 1980-02-20 EP disclosed
US-4155930-A Ureylene phenylene anionic naphthalenesulfonic acids AMERICAN CYANAMID COMPANY (US) 1979-05-22 US disclosed
US-4155931-A COMPLEMENT INHIBITORS FOR MAMMALS AMERICAN CYANAMID COMPANY (US) 1979-05-22 US disclosed
US-4067688-A Durable press process for cellulosic fiber-containing fabrics utilizing formaldehyde and an aryl sulfonic liquid or acid catalyst THE STRIKE CORPORATION (US) 1978-01-10 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-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS RNGTT, POLRMT, DNTT TSHR 2392/4885CYP3A4 1474/4885MCOLN3 3728/4885

“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.