SCHEMBL318286

SCHEMBL318286

O=[N+]([O-])c1cccc(S(=O)(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TSHR P16473 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
TDP1 Q9NUW8 3/20 0.45
S100A4 P26447 1/20 0.43
THRB P10828 1/20 0.43
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL318287 1.00 GPR35 (0.56) GPR35KMT2AMEN1TSHRCA1
Hydrochloric Acid SCHEMBL11753998 0.98 GPR35 (0.55) GPR35KMT2AMEN1TSHRCA1
Methylamine SCHEMBL8582028 0.95 GPR35 (0.51) GPR35KMT2AMEN1TSHRCA1
SCHEMBL3193995 0.85 KMT2A (0.68) GPR35KMT2AMEN1TSHRCA1
Sulfuric Acid SCHEMBL220862 0.84 GPR35 (0.64) GPR35KMT2AMEN1TSHRCA1
SCHEMBL195393 0.83 GPR35 (0.44) GPR35KMT2AMEN1TSHRCA1
SCHEMBL26980 0.83 GPR35 (0.44) GPR35KMT2AMEN1TSHRCA1
SCHEMBL6846085 0.83 KMT2A (0.55) GPR35KMT2AMEN1CA1CA2
SCHEMBL6846086 0.83 KMT2A (0.55) GPR35KMT2AMEN1CA1CA2
SCHEMBL27464031 0.83 GPR35 (0.44) GPR35KMT2AMEN1TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024256789-A1 IN VITRO MODEL OF INFLAMED INTESTINAL BARRIER UNIVERSITE DE FRANCHE COMTE (FR) 2024-12-19 WO claimed
WO-2023136603-A1 AVATAR MODEL SIMULATING IMMUNE SYSTEM OF PATIENTS WITH INFLAMMATORY BOWEL DISEASE, AND DRUG SCREENING PLATFORM 가톨릭대학교 산학협력단 2023-07-20 WO claimed
CN-116349679-A Composite disinfection and sterilization method 孙国明 2023-06-30 CN claimed
WO-2022158882-A1 INTESTINAL ORGANOID IMMUNE-CONTROL INTEGRATED PLATFORM FOR THERAGNOSIS OF MICROBIOME AND IMMUNE CELL 가톨릭대학교 산학협력단 2022-07-28 WO claimed
US-10556909-B2 Synthetic process and intermediates AVISTA PHARMA SOLUTIONS, INC. (US) 2020-02-11 US claimed
US-20190284199-A1 Synthetic Process and Novel Intermediates BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2019-09-19 US claimed
CN-110079403-A A kind of energy saving and environment friendly gunpowder residue cleaning agent 武汉硕隽科技有限公司 2019-08-02 CN claimed
CN-109879545-A A kind of high saliferous, concentration organic wastewater disposal process and method 北京丰泽绿源环境技术有限公司 2019-06-14 CN claimed
EP-3365168-A1 LIGHTWEIGHT FLAME RETARDANT THERMOPLASTIC STRUCTURES Schneller, LLC (US) 2018-08-29 EP claimed
CN-108396564-A A kind of disperse type cationic dye aqueous color paste and preparation method thereof 郑州鸿盛数码科技股份有限公司 2018-08-14 CN claimed
WO-1999009111-A1 ELECTROCHROMIC SYSTEM WITH COUPLED RED-OX SYSTEM AND SPECIAL ANIONS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-25 WO claimed
US-5639928-A ADDING RESIDUE INHIBITING AMOUNT OF NITRO OR NITROSO SUBSTITUTED PHENOL OR SULFONIC ACID ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1997-06-17 US claimed
CN-1124012-A Arylating medicaments RADOPATH LTD (GB) 1996-06-05 CN claimed
EP-0700287-A1 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1996-03-13 EP claimed
WO-1994027584-A2 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1994-12-08 WO claimed
US-4708744-A BROMATE AND NITROAROMATIC ACCELERATOR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-11-24 US claimed
US-4186008-A STRONG ACID, WATER-SOLUBLE IODIDE, NON-QUATERNIZED QUINOXALINE OR PYRAZINE, ANIT-OXIDANT, QUATERNARY AMMONIUM SALT OF AMINE SALT CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-01-29 US claimed
US-4171976-A Homopolymerization inhibition of photographic hardeners EASTMAN KODAK COMPANY (US) 1979-10-23 US claimed
US-4066395-A CATIONIC DYES CIBA-GEIGY CORPORATION (US) 1978-01-03 US claimed
US-4014698-A ACIDS, IODIDE COMPOUNDS, OXIDIZERS, DIAZINE COMPOUND CIBA-GEIGY AG (CH) 1977-03-29 US claimed

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-20190284199-A1 Synthetic Process and Novel Intermediates SBDS, LSS, NISCH GPR35 3754/4885KMT2A 4118/4885MEN1 2742/4885
US-10556909-B2 Synthetic process and intermediates SBDS, NISCH, SQOR GPR35 4059/4885KMT2A 4217/4885MEN1 2686/4885

“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.