SCHEMBL2729360

SCHEMBL2729360

Cc1ccc([S+]([O-])CF)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL20921311 0.80 ACHE (0.42) ACHETDP1MAPTIDO1GAA
SCHEMBL20906472 0.80 ACHE (0.42) ACHETDP1MAPTIDO1GAA
SCHEMBL3884085 0.78 ACHE (0.40) ACHETDP1MAPTIDO1GAA
SCHEMBL12283711 0.78 ACHE (0.40) ACHETDP1MAPTIDO1GAA
SCHEMBL2728956 0.76 ACHE (0.38) ACHETDP1MAPTIDO1GAA
SCHEMBL2728483 0.76 ACHE (0.38) ACHETDP1MAPTIDO1GAA
SCHEMBL17548365 0.76 CYP2A6 (0.38) ALDH1A1CA1CA2CYP2A6TAAR1
SCHEMBL11092898 0.76 ACHE (0.38) ACHETDP1MAPTIDO1GAA
SCHEMBL17447443 0.76 CYP1A2 (0.39) ACHETDP1MAPTIDO1GAA
SCHEMBL778068 0.75 CYP3A4 (0.41) TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106986804-A The electrophilic reagent based on sulfonium cation, its preparation and use for the transfer of monohaloalkyl methyl group 霍维奥恩联合有限公司 2017-07-28 CN disclosed
EP-2632896-B1 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INT LTD (CH) 2017-03-15 EP disclosed
EP-2632896-B1 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INT LTD (CH) 2017-03-15 EP disclosed
US-9359294-B2 Electrophilic reagents for monohalomethylation, their preparation and their uses HOVIONE INTER LIMITED (CH) 2016-06-07 US disclosed
US-9359294-B2 Electrophilic reagents for monohalomethylation, their preparation and their uses HOVIONE INTER LIMITED (CH) 2016-06-07 US disclosed
US-9359294-B2 Electrophilic reagents for monohalomethylation, their preparation and their uses HOVIONE INTER LIMITED (CH) 2016-06-07 US disclosed
US-20160130223-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses HOVIONE INTER LIMITED (CH) 2016-05-12 US disclosed
US-20160130223-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses HOVIONE INTER LIMITED (CH) 2016-05-12 US disclosed
US-20160130223-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses HOVIONE INTER LIMITED (CH) 2016-05-12 US disclosed
US-9290446-B2 Electrophilic reagents for monohalomethylation, their preparation and their uses HOVIONE INTER LIMITED (CH) 2016-03-22 US disclosed
US-9290446-B2 Electrophilic reagents for monohalomethylation, their preparation and their uses HOVIONE INTER LIMITED (CH) 2016-03-22 US disclosed
US-9290446-B2 Electrophilic reagents for monohalomethylation, their preparation and their uses HOVIONE INTER LIMITED (CH) 2016-03-22 US disclosed
US-20130274460-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses HOVIONE INTER LIMITED (CH) 2013-10-17 US disclosed
US-20130274460-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses HOVIONE INTER LIMITED (CH) 2013-10-17 US disclosed
US-20130274460-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses HOVIONE INTER LIMITED (CH) 2013-10-17 US disclosed
EP-2632896-A2 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES Hovione Inter Limited (CH) 2013-09-04 EP disclosed
CN-103249716-A Sulfonium-ion-based electrophiles for the transfer of monohalomethyl groups, their preparation and use HOVIONE INT LTD 2013-08-14 CN disclosed
WO-2012056201-A2 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INTER LIMITED (CH) 2012-05-03 WO disclosed
WO-2012056201-A2 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INTER LIMITED (CH) 2012-05-03 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 (2 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-20130274460-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses RFC2, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ACHE 4602/4885TDP1 3239/4885MAPT 4699/4885
US-20160130223-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses CBR3, CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ACHE 3713/4885TDP1 1393/4885MAPT 4501/4885

“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.