SCHEMBL12450447

SCHEMBL12450447

CCOc1cc(Cl)c(CSC2=NOC(C)(C)C2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL24183917 0.91 KDM4E (0.34) USP2MAPTTSHRKDM4EALDH1A1
SCHEMBL25907556 0.82 MAPT (0.34) MAPTCYP1A2CYP2C19
SCHEMBL29110057 0.80
SCHEMBL29110061 0.80
SCHEMBL2721908 0.79 KDM4E (0.33) MAPTTSHRKDM4EALDH1A1CYP1A2
SCHEMBL28685310 0.79 KDM1A (0.32)
Fenoxasulfone SCHEMBL2470273 0.78 SMN1; SMN2 (0.35) MAPTTSHRKDM4EALDH1A1CYP1A2
Fenoxasulfone SCHEMBL29489596 0.78 SMN1; SMN2 (0.35) MAPTTSHRKDM4EALDH1A1CYP1A2
SCHEMBL28704580 0.67 MAPK1 (0.41) MAPTKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL2721905 0.67 HTR2C (0.33) MAPTKDM4EALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234947-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYROXASULFONE, FENOXASULFONE AND VARIOUS SULFONE ANALOGS OF 5,5-DIMETHYL-4H-1,2-OXAZOLE ADAMA AGAN LTD. (IL) 2023-07-27 US disclosed
EP-4177244-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYROXASULFONE AND FENOXASULFONE Adama Agan Ltd. (IL) 2023-05-10 EP disclosed
EP-4177245-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF FENOXASULFONE Adama Agan Ltd. (IL) 2023-05-10 EP disclosed
EP-4177252-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYROXASULFONE, FENOXASULFONE AND VARIOUS SULFONE ANALOGS OF 5,5-DIMETHYL-4H-1,2-OXAZOLE Adama Agan Ltd. (IL) 2023-05-10 EP disclosed
WO-2022009044-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYROXASULFONE, FENOXASULFONE AND VARIOUS SULFONE ANALOGS OF 5,5-DIMETHYL-4H-1,2-OXAZOLE ADAMA AGAN LTD. (IL) 2022-01-13 WO disclosed
EP-3936503-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYROXASULFONE, FENOXASULFONE AND VARIOUS SULFONE ANALOGS OF 5,5-DIMETHYL-4H-1,2-OXAZOLE Adama Agan Ltd. (IL) 2022-01-12 EP disclosed
US-8921572-B2 Method for producing 5,5-disubstituted 4,5-dihydroisoxazol-3-thiocarboxamidine salts BASF SE (DE) 2014-12-30 US disclosed
US-8921572-B2 Method for producing 5,5-disubstituted 4,5-dihydroisoxazol-3-thiocarboxamidine salts BASF SE (DE) 2014-12-30 US disclosed
US-20120264947-A1 Method for Producing 5,5-Disubstituted 4,5-Dihydroisoxazol-3-Thiocarboxamidine Salts BASF SE (DE) 2012-10-18 US disclosed
US-20120264947-A1 Method for Producing 5,5-Disubstituted 4,5-Dihydroisoxazol-3-Thiocarboxamidine Salts BASF SE (DE) 2012-10-18 US disclosed
US-20120238760-A1 Method for Producing 5,5-Disubstituted 2-Isoxazolines BASF SE (DE) 2012-09-20 US disclosed
US-20120238760-A1 Method for Producing 5,5-Disubstituted 2-Isoxazolines BASF SE (DE) 2012-09-20 US disclosed
WO-2011063842-A1 METHOD FOR PRODUCING 5,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOL-3-THIOCARBOXAMIDINE SALTS BASF SE (DE) 2011-06-03 WO disclosed
WO-2011063843-A1 METHOD FOR PRODUCING 5,5-DISUBSTITUTED 2-ISOXAZOLINES BASF SE (DE) 2011-06-03 WO 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 (3 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-20230234947-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYROXASULFONE, FENOXASULFONE AND VARIOUS SULFONE ANALOGS OF 5,5-DIMETHYL-4H-1,2-OXAZOLE TST, TXN2, PRDX1 USP2 3403/4885MAPT 4809/4885TSHR 465/4885
US-20120264947-A1 Method for Producing 5,5-Disubstituted 4,5-Dihydroisoxazol-3-Thiocarboxamidine Salts DHX15, DHX35, HDHD5 USP2 1865/4885MAPT 4363/4885TSHR 32/4885
US-20120238760-A1 Method for Producing 5,5-Disubstituted 2-Isoxazolines CBR3, CBR1, CYP3A5 USP2 2284/4885MAPT 4725/4885TSHR 3098/4885

“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.