SCHEMBL498677

SCHEMBL498677

COc1ccccc1S([O])(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.62
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA14 Q9ULX7 1/20 0.52
NFE2L2 Q16236 7/20 0.47
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 2/20 0.43
KAT6A Q92794 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 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
SCHEMBL31352974 0.84 HTR6 (0.77) HTR6CA1CA2CA7CA9
SCHEMBL30514823 0.82 HTR6 (0.62) HTR6CA1CA2CA7CA9
SCHEMBL69581 0.82 HTR6 (0.62) HTR6CA1CA2CA7CA9
SCHEMBL6968672 0.81 HTR6 (0.47) HTR6CA1CA2CA7CA9
SCHEMBL32665172 0.80 ELANE (0.64) HTR6CA1CA2CA7CA9
SCHEMBL286480 0.80 HTR6 (0.60) HTR6CA1CA2CA7CA9
SCHEMBL8700820 0.80 HTR6 (0.60) HTR6CA1CA2CA7CA9
SCHEMBL514348 0.80 HTR6 (0.60) HTR6CA1CA2CA7CA9
SCHEMBL74380 0.80 HTR6 (0.60) HTR6CA1CA2CA7CA9
SCHEMBL1299047 0.80 HTR6 (0.60) HTR6CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227773-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-07-21 US claimed
CN-112010859-B Fused ring compound, preparation method and application thereof 中国科学院上海药物研究所 2022-07-19 CN claimed
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
WO-2020239073-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2020-12-03 WO claimed
CN-112010859-A Fused ring compound, preparation method and application thereof 中国科学院上海药物研究所 2020-12-01 CN 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
WO-2018114662-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) 2018-06-28 WO claimed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
CN-106632066-A Benzimidazole compound and preparation method and application thereof 苏州旺山旺水生物医药有限公司 2017-05-10 CN claimed
CN-103804108-B A kind of method preparing primary amine 沈阳药科大学 2016-08-03 CN claimed
EP-1960362-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR Synthon B.V. (NL) 2008-08-27 EP claimed
EP-1948610-A2 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR Synthon B.V. (NL) 2008-07-30 EP claimed
WO-2007057227-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2007-05-24 WO claimed
WO-2007057225-A2 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2007-05-24 WO claimed
US-4140684-A FOR POLYESTERS, POLYAMIDES, AND CELLULOSE ACETATES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1979-02-20 US claimed
US-4068085-A YELLOW AND RED ON POLYESTERS AND ACRYLICS CIBA-GEIGY CORPORATION (US) 1978-01-10 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 (4 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 HTR6 2797/4885CA1 2290/4885CA2 699/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH HTR6 3326/4885CA1 3524/4885CA2 1331/4885
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES DDT, HPD, PAH HTR6 2217/4885CA1 2674/4885CA2 1079/4885
US-20220227773-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SLC18A2, SLC6A3, SLC18A3 HTR6 26/4885CA1 3998/4885CA2 4356/4885

“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.