SCHEMBL4201591

SCHEMBL4201591

[CH2]CSC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
GSK3B P49841 2/20 0.46
PTPN1 P18031 1/20 0.46
GPR139 Q6DWJ6 1/20 0.45
CES1 P23141 4/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CES2 O00748 3/20 0.44
TSHR P16473 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TRPA1 O75762 1/20 0.41

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
SCHEMBL22616327 0.83 KMT2A (0.46) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL16047247 0.81 KMT2A (0.52) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL31131465 0.80 KMT2A (0.47) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL31315054 0.79 KMT2A (0.50) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL8466797 0.77 KMT2A (0.49) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL1520392 0.77 KMT2A (0.58) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL1641518 0.77 HDAC3 (0.55) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL11421328 0.77 ALDH1A1 (0.52) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL7909243 0.77 KMT2A (0.49) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL31131464 0.77 KMT2A (0.49) KMT2AGSK3BPTPN1GPR139CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597926-B2 Thiophosphoramidites ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2023-03-07 US claimed
US-20210115438-A1 NOVEL THIOPHOSPHORAMIDITES ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2021-04-22 US claimed
EP-3728590-A1 NOVEL THIOPHOSPHORAMIDITES Roche Innovation Center Copenhagen A/S (DK) 2020-10-28 EP claimed
CN-111448316-A Novel thiophosphorous acid amides 罗氏创新中心哥本哈根有限公司 2020-07-24 CN claimed
US-11597926-B2 Thiophosphoramidites ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2023-03-07 US disclosed
US-20230002762-A1 OLIGONUCLEOTIDES COMPRISING A PHOSPHORODITHIOATE INTERNUCLEOSIDE LINKAGE ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2023-01-05 US disclosed
EP-4092117-A1 GAPMER OLIGONUCLEOTIDES COMPRISING A PHOSPHORODITHIOATE INTERNUCLEOSIDE LINKAGE Roche Innovation Center Copenhagen A/S (DK) 2022-11-23 EP disclosed
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-06-30 US disclosed
US-11365175-B2 Aromatic amides having a fungicidal activity, their agronomic compositions and relative preparation method ISAGRO S.P.A. (IT) 2022-06-21 US disclosed
EP-3962900-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ISAGRO S.p.A. (IT) 2022-03-09 EP disclosed
US-20210115438-A1 NOVEL THIOPHOSPHORAMIDITES ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2021-04-22 US disclosed
US-20200354314-A1 AROMATIC AMIDES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE PREPARATION METHOD BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-11-12 US disclosed
US-6987112-B2 Organic compound having cyano group and insecticides/miticides NIPPON SODA CO., LTD. (US) 2006-01-17 US disclosed
US-20050233995-A1 Immunostimulatory nucleic acid molecules THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-10-20 US disclosed
US-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue TOYAMA CHEMICAL CO., LTD. (JP) 2004-11-25 US disclosed
EP-1417967-A1 NOVEL VIRUS PROLIFERATION INHIBITION/VIRUCIDAL METHOD AND NOVEL PYRADINE NUCLEOTIDE/PYRADINE NUCLEOSIDE ANALOGUE TOYAMA CHEMICAL CO., LTD. (JP) 2004-05-12 EP disclosed
US-20040072826-A1 Organic compound having cyano group and insecticides/miticides NIPPON SODA CO., LTD. (JP) 2004-04-15 US disclosed
EP-1338589-A1 ORGANIC COMPOUND HAVING CYANO GROUP AND INSECTICIDES/MITICIDES NIPPON SODA CO., LTD. (JP) 2003-08-27 EP disclosed
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed
US-4340728-A ANTITUMOR AGENT OF 5-FLUORO URIDINE OR URACIL DERIVATIVE FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-07-20 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 (8 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-20230002762-A1 OLIGONUCLEOTIDES COMPRISING A PHOSPHORODITHIOATE INTERNUCLEOSIDE LINKAGE DUT, TYMP, TYMS KMT2A 2877/4885GSK3B 3837/4885PTPN1 2570/4885
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ACHE, CYP51A1, DNPH1 KMT2A 1357/4885GSK3B 4501/4885PTPN1 678/4885
US-20200354314-A1 AROMATIC AMIDES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE PREPARATION METHOD CYP51A1, NAT1, AADAC KMT2A 394/4885GSK3B 3139/4885PTPN1 2103/4885
US-11365175-B2 Aromatic amides having a fungicidal activity, their agronomic compositions and relative preparation method CYP51A1, NAT1, AADAC KMT2A 394/4885GSK3B 3139/4885PTPN1 2103/4885
US-20210115438-A1 NOVEL THIOPHOSPHORAMIDITES TYMP, RRM2B, RNGTT KMT2A 1212/4885GSK3B 2710/4885PTPN1 514/4885
US-20040072826-A1 Organic compound having cyano group and insecticides/miticides ACHE, OTC, MT-CO1 KMT2A 1239/4885GSK3B 1690/4885PTPN1 816/4885
US-11597926-B2 Thiophosphoramidites TYMP, RRM2B, RRM2 KMT2A 1594/4885GSK3B 2117/4885PTPN1 454/4885
US-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue CDK5, NT5C3B, CDK15 KMT2A 1499/4885GSK3B 3415/4885PTPN1 1579/4885

“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.