Sugi Predict

Sugi Predict / Compounds / SCHEMBL205255

SCHEMBL205255

SCHEMBL205255

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.75
▸ GAA P10253 1/20 0.75
▸ HTT P42858 1/20 0.75
▸ CA2 P00918 3/20 0.70
▸ CA5A P35218 1/20 0.70
▸ MMP2 P08253 2/20 0.64
▸ CA1 P00915 1/20 0.64
▸ MMP1 P03956 1/20 0.64
▸ MMP9 P14780 1/20 0.64
▸ MMP8 P22894 1/20 0.64
▸ MMP13 P45452 1/20 0.64
▸ MEN1 O00255 1/20 0.62
▸ TSHR P16473 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ F2 P00734 2/20 0.58
▸ PRSS1 P07477 2/20 0.58
▸ PRSS2 P07478 2/20 0.58
▸ PRSS3 P35030 2/20 0.58
▸ ALDH1A1 P00352 5/20 0.57
▸ CYP19A1 P11511 1/20 0.55

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
SCHEMBL9580710 0.86 KMT2A (1.00) KMT2AGAAHTTCA2CA5A
SCHEMBL9471995 0.82 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL189037 0.82 CA2 (1.00) KMT2AGAAHTTCA2CA5A
SCHEMBL10515655 0.82 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL1148409 0.82 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL5899427 0.82 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
Potassium Ion SCHEMBL10474224 0.82 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL6400928 0.82 CA2 (1.00) KMT2AGAAHTTCA2CA5A
SCHEMBL33351 0.82 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL6525363 0.82 KMT2A (0.72) KMT2AGAAHTTCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605310-B Synthesis method of aza five-membered ring and three-membered ring carboxylic ester derivative and salt thereof 都创(上海)医药科技股份有限公司 2024-05-07 — — CN claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 — — US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 — — EP claimed
CN-104780761-A Use of substituted 2, 3-dihydro-1-benzofuran-4-carboxylic acids or salts thereof as active substances against abiotic plant stress BAYER CROPSCIENCE AG 2015-07-15 — — CN claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 — — WO claimed
US-8492390-B2 Synthesis of locked nucleic acid derivatives SANTARIS PHARMA A/S (DK) 2013-07-23 — — US claimed
US-8084458-B2 Synthesis of locked nucleic acid derivatives SANTARIS PHARMA A/S (DK) 2011-12-27 — — US claimed
EP-1471915-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2011-09-14 — — EP claimed
US-20100216983-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES SANTARIS PHARMA A/S, a Denmark corporation 2010-08-26 — — US claimed
US-7737273-B2 Process for acyclic phosphonate nucleotide analogs HETERO DRUGS LIMITED (IN) 2010-06-15 — — US claimed
US-6090942-A Process and intermediates for a β3 -adrenergic receptor agonist PFIZER INC. (US) 2000-07-18 — — US claimed
EP-0994105-A2 2-amino-pyridine intermediates for beta3-Adrenergic receptor agonists Pfizer Products Inc. (US) 2000-04-19 — — EP claimed
EP-0938476-A1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER INC. (US) 1999-09-01 — — EP claimed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 — — WO claimed
EP-0923570-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-06-23 — — EP claimed
WO-1998021184-A1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER INC. (US) 1998-05-22 — — WO claimed
WO-1997048696-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 — — WO claimed
WO-1997043282-A2 BENZOTHIAZOLINONES AS ANTI-ASTHMATIC AGENTS KLINGE PHARMA GMBH (DE) 1997-11-20 — — WO claimed
WO-1997043292-A1 NEW THIAZOLOPYRIDINES KLINGE PHARMA GMBH (DE) 1997-11-20 — — WO claimed
WO-1995020576-A1 4-(2-(3-ARYLOXY-2-HYDROXYPROPYLAMINO ALKYLOXY)-5-NITROPHENYL)-1,4-DIHYDROPYRIDINES AS ANTIHYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-03 — — WO 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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD KMT2A 3258/4885GAA 170/4885HTT 3775/4885
US-20100216983-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES RNGTT, NSUN3, NSUN2 KMT2A 1420/4885GAA 1150/4885HTT 1218/4885

“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.