SCHEMBL330676

SCHEMBL330676

Cc1cccc(S([O])(=O)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
ACHE P22303 1/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.46
FBP1 P09467 9/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
MMP2 P08253 1/20 0.45
EDNRA P25101 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL822302 0.83 KMT2A (0.59) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL29468572 0.83 KMT2A (0.59) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL12808 0.81 KMT2A (0.57) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL15607666 0.81 KMT2A (0.57) KMT2AACHEMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11279258 0.81 KMT2A (0.57) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL4398068 0.79 KMT2A (0.55) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL6832061 0.79 ALDH1A1 (0.57) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL4619061 0.79 KMT2A (0.55) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL136546 0.79 ALDH1A1 (0.57) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL5188468 0.79 CA2 (0.70) KMT2AACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO claimed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
EP-3558986-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP 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
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
US-20100216983-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES SANTARIS PHARMA A/S, a Denmark corporation 2010-08-26 US claimed
US-7569575-B2 Formed via intermediates which are reactive with nucleophiles SANTARIS PHARMA A/S (DK) 2009-08-04 US claimed
EP-1501848-B1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES SANTARIS PHARMA AS (DK) 2007-08-08 EP claimed
EP-1501848-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES Santaris Pharma A/S (DK) 2005-02-02 EP claimed
US-20040014959-A1 Synthesis of locked nucleic acid derivatives SANTARIS PHARMA A/S (DK) 2004-01-22 US claimed
WO-2003095467-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES SANTARIS PHARMA A/S (DK) 2003-11-20 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 (6 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS KMT2A 2086/4885ACHE 563/4885MEN1 3916/4885
US-20100216983-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES RNGTT, NSUN3, NSUN2 KMT2A 1420/4885ACHE 4137/4885MEN1 3076/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH KMT2A 2550/4885ACHE 1584/4885MEN1 4723/4885
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES DDT, HPD, PAH KMT2A 2381/4885ACHE 2445/4885MEN1 3869/4885
US-20040014959-A1 Synthesis of locked nucleic acid derivatives NSUN3, RNGTT, NSUN2 KMT2A 1451/4885ACHE 4660/4885MEN1 2406/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD KMT2A 872/4885ACHE 973/4885MEN1 2887/4885

“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.