SCHEMBL5531315

SCHEMBL5531315

O=S(=O)(c1ccccc1)N(Cl)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ESR1 P03372 1/20 0.51
NR1H3 Q13133 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
BACE1 P56817 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APOBEC3G Q9HC16 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL27658769 0.91 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL8349997 0.81 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL9596419 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL3286100 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL6809864 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL27953450 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL4159760 0.79 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL14842623 0.77 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL27953447 0.76 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL1875362 0.76 PSEN1 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050475-A1 Method for preparing halomethyl heterocyclic compounds BURDENIUC JUAN JESUS (US) 2003-03-13 US claimed
EP-1277742-A1 Method for preparing halomethyl heterocyclic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-01-22 EP claimed
US-6492517-B1 THE PRESENT INVENTION RELATES TO A METHOD FOR PREPARING 5- AND 6-HALOMETHYL QUINOXALINES IN PRESENCE OF A RADICAL INITIATOR IN A SOLVENT SELECTED FROM THE GROUP CONSISTING OF FLUOROBENZENE, DIFLUOROBENZENES, TRIFLUOROBENZENES, AIR PRODUCTS AND CHEMICALS, INC. 2002-12-10 US claimed
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 EP disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
EP-3025586-B1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE SUMITOMO CHEMICAL CO (JP) 2019-04-17 EP disclosed
EP-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed
EP-0011370-B1 PROCESS FOR PREPARING 2-CHLOROSULFINYL-AZETIDINONES ELI LILLY AND COMPANY (US) 1982-04-28 EP disclosed
US-4293495-A Symmetrical azetidinone aldehyde disulfides and process ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4289695-A REACTION OF A PHENICILLIN WITH AN N-CHLORO HALOGENATING AGENT IN PRESENCE OF A CROSSLINKED POLYVINYLPYRIDINE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0011370-A1 Process for preparing 2-chlorosulfinyl-azetidinones ELI LILLY AND COMPANY (US) 1980-05-28 EP disclosed
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4159272-A Process for 2-chlorosulfinylazetidin-4-ones ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 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 (1 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-20030050475-A1 Method for preparing halomethyl heterocyclic compounds HDHD5, HNMT, CBR3 ALDH1A1 2209/4885MEN1 2295/4885KMT2A 347/4885

“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.