SCHEMBL4588942

SCHEMBL4588942

Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1

nearest known ligand 0.91

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.91
MMP2 P08253 13/20 0.91
MMP3 P08254 10/20 0.91
MMP13 P45452 10/20 0.91
MMP1 P03956 9/20 0.91
MMP7 P09237 9/20 0.91
ADAMTS4 O75173 3/20 0.72
SLC1A3 P43003 1/20 0.72
SLC1A2 P43004 1/20 0.72
SLC1A1 P43005 1/20 0.72
MMP14 P50281 1/20 0.68
MMP8 P22894 1/20 0.65

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
SCHEMBL3964630 1.00 MMP9 (0.91) MMP9MMP2MMP3MMP13MMP1
SCHEMBL6446613 1.00 MMP9 (0.91) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7870625 0.95 MMP2 (1.00) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7870619 0.95 MMP2 (1.00) MMP9MMP2MMP3MMP13MMP1
SCHEMBL6800772 0.91 MMP2 (0.77) MMP9MMP2MMP3MMP13MMP1
SCHEMBL8446281 0.91 MMP9 (1.00) MMP9MMP2MMP3MMP13MMP1
SCHEMBL6302637 0.89 MMP9 (0.73) MMP9MMP2MMP3MMP13MMP1
SCHEMBL21538657 0.89 MMP9 (0.73) MMP9MMP2MMP3MMP13MMP1
SCHEMBL6296214 0.89 MMP9 (0.73) MMP9MMP2MMP3MMP13MMP1
SCHEMBL27485402 0.88 MMP2 (0.80) MMP9MMP2MMP3MMP13MMP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
CN-111989331-B Synthesis method of 2- [ (2S) -1-azabicyclo [2.2.2] oct-2-yl ] -6- (3-methyl-1H-pyrazol-4-yl) thieno [3,2-d ] pyrimidine-4 (3H) -ketone 武田药品工业株式会社 2024-04-12 CN disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-11524957-B2 Process for the synthesis of 2-[(2S)-1-azabicyclo[2.2.2]oct-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-13 US disclosed
US-11524957-B2 Process for the synthesis of 2-[(2S)-1-azabicyclo[2.2.2]oct-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-13 US disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
US-20210101897-A1 PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6-(3-METHYL-1H-PYRAZOL-4-YL)THIENO[3,2-d]PYRIMIDIN-4(3H)-ONE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-08 US disclosed
EP-3641891-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS William Marsh Rice University (US) 2020-04-29 EP disclosed
WO-2019194319-A1 PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6- (3-METHYL-1 H-PYRAZOL-4-YL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-10 WO disclosed
WO-2018237178-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-27 WO disclosed
US-20080161580-A1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND PROCESS FOR THE PRODUCTION AND THE USE WESTERMANN JURGEN 2008-07-03 US disclosed
US-7368568-B2 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use BAYER SCHERING PHARMA AG (DE) 2008-05-06 US disclosed
US-20050272731-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-6933385-B2 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use SCHERING AG (DE) 2005-08-23 US disclosed
US-20030158412-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 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 (5 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-11524957-B2 Process for the synthesis of 2-[(2S)-1-azabicyclo[2.2.2]oct-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one CDC7, CDK7, CDCA2 MMP9 4314/4885MMP2 4637/4885MMP3 4747/4885
US-20080161580-A1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND PROCESS FOR THE PRODUCTION AND THE USE DHPS, VARS1, CYP51A1 MMP9 2153/4885MMP2 1759/4885MMP3 1378/4885
US-20030158412-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use DHPS, VARS1, CYP51A1 MMP9 2153/4885MMP2 1759/4885MMP3 1378/4885
US-20210101897-A1 PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6-(3-METHYL-1H-PYRAZOL-4-YL)THIENO[3,2-d]PYRIMIDIN-4(3H)-ONE CDC7, CDK7, CDCA2 MMP9 4310/4885MMP2 4634/4885MMP3 4742/4885
US-20050272731-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use DHPS, VARS1, HSD17B12 MMP9 2547/4885MMP2 1649/4885MMP3 1461/4885

“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.