SCHEMBL776863

SCHEMBL776863

CC(C)(C)[S+]([O-])c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 0.32
TAAR1 Q96RJ0 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
SLC6A2 P23975 1/20 0.31
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30
ATM Q13315 1/20 0.30
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 1/20 0.30
KCNN4 O15554 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
SCHEMBL5527174 1.00 GPR3 (0.39) GPR3MAPK1TSHRTAAR1ALDH1A1
Fluoride SCHEMBL775530 0.97 GPR3 (0.38) GPR3MAPK1TSHRTAAR1ALDH1A1
SCHEMBL7333621 0.80 GPR3 (0.32) GPR3MAPK1MEN1KMT2AKCNN4
SCHEMBL16469424 0.80 GPR3 (0.32) GPR3MAPK1
SCHEMBL16174370 0.77 ACHE (0.40) TSHRALDH1A1ACHEMEN1KMT2A
SCHEMBL16174416 0.77 ACHE (0.40) TSHRALDH1A1ACHEMEN1KMT2A
SCHEMBL16139498 0.77 ACHE (0.40) TSHRALDH1A1ACHEMEN1KMT2A
SCHEMBL11659804 0.76 TSHR (0.33) TSHRALDH1A1CYP3A4
SCHEMBL20877679 0.76 GPR3 (0.40) GPR3TSHRALDH1A1
SCHEMBL20877639 0.76 GPR3 (0.40) GPR3TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558862-B Synthetic method and intermediate of anti-leukemia cancer cell active molecule 上海工程技术大学 2020-07-17 CN claimed
CN-109956960-A A kind of synthetic method of isothiourea class catalyst 上海工程技术大学 2019-07-02 CN claimed
CN-108558862-A A kind of synthetic method and intermediate of anti-leukocythemia tumor cell viability molecule 上海工程技术大学 2018-09-21 CN claimed
CN-106892847-A A kind of synthetic method of three (tert-butyl-phenyl) sulphur bromines 西安瑞联新材料股份有限公司 2017-06-27 CN claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
US-11014955-B2 Cyclic peroxides as prodrugs for selective delivery of agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-25 US disclosed
US-20200317714-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-10-08 US disclosed
CN-108558862-B Synthetic method and intermediate of anti-leukemia cancer cell active molecule 上海工程技术大学 2020-07-17 CN disclosed
CN-108558862-B Synthetic method and intermediate of anti-leukemia cancer cell active molecule 上海工程技术大学 2020-07-17 CN disclosed
EP-3670496-A2 ACC2 INHIBITORS Shionogi&Co., Ltd. (JP) 2020-06-24 EP disclosed
US-20080255384-A1 THREE CARBON PRECURSOR SYNTHONS NEW MEXICO HIGHLANDS UNIVERSITY 2008-10-16 US disclosed
US-20080064659-A1 EPOXYKETONE-BASED IMMUNOPROTEASOME INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2008-03-13 US disclosed
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides APSINTERM, LLC 2007-12-20 US disclosed
US-7256297-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM, LLC. (US) 2007-08-14 US disclosed
US-7064214-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC (US) 2006-06-20 US disclosed
US-20060128767-A1 Methods of preparing sulfinamides and sulfoxides SENANAYAKE CHRIS H 2006-06-15 US disclosed
CN-1659154-A Process for the preparation of amine stereoisomers APSINTERM LLC (US) 2005-08-24 CN disclosed
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC 2003-05-01 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 (7 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-20060128767-A1 Methods of preparing sulfinamides and sulfoxides STS, TST, CBS GPR3 4091/4885MAPK1 4052/4885TSHR 2609/4885
US-20080064659-A1 EPOXYKETONE-BASED IMMUNOPROTEASOME INHIBITORS PSME2, PSMB2, PSME1 GPR3 4833/4885MAPK1 3901/4885TSHR 4804/4885
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides STS, TST, CBS GPR3 4091/4885MAPK1 4052/4885TSHR 2609/4885
US-11014955-B2 Cyclic peroxides as prodrugs for selective delivery of agents GPX4, PRDX1, PRDX3 GPR3 2559/4885MAPK1 3944/4885TSHR 1467/4885
US-20080255384-A1 THREE CARBON PRECURSOR SYNTHONS MRPS23, DAP3, SPIN3 GPR3 2056/4885MAPK1 919/4885TSHR 2794/4885
US-20200317714-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, GPX1 GPR3 2552/4885MAPK1 3732/4885TSHR 1944/4885
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides STS, TST, CBS GPR3 4091/4885MAPK1 4052/4885TSHR 2609/4885

“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.