SCHEMBL2486590

SCHEMBL2486590

N#CCS(=O)(=O)CC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 2/20 0.36
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 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
SCHEMBL2487175 0.95 ALDH1A1 (0.37) ALDH1A1TSHRNR2F2RAB9ASMN1; SMN2
SCHEMBL30509807 0.72 PKM (0.36) PDE8BALDH1A1TSHRNR2F2RAB9A
SCHEMBL14647288 0.72 PKM (0.36) PDE8BALDH1A1TSHRNR2F2RAB9A
SCHEMBL7321280 0.72 ALDH1A1 (0.36) ALDH1A1TSHRNR2F2RAB9ASMN1; SMN2
SCHEMBL4073558 0.72 CTSK (0.35) ALDH1A1SMN1; SMN2MAPT
SCHEMBL4770390 0.72 ALDH1A1 (0.36) PDE8BALDH1A1TSHRNR2F2RAB9A
SCHEMBL1272645 0.72 ALDH1A1 (0.36) ALDH1A1TSHRNR2F2RAB9ASMN1; SMN2
SCHEMBL5490567 0.72 HPGD (0.38) ALDH1A1NR2F2RAB9ASMN1; SMN2POLB
SCHEMBL2481652 0.72
SCHEMBL22747454 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513162-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-20 US disclosed
US-8513162-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-20 US disclosed
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-20 US disclosed
EP-2376450-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2011-10-19 EP disclosed
WO-2010074327-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 WO disclosed
WO-2010074327-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 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 (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-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 PDE8B 4850/4885ALDH1A1 1174/4885TSHR 70/4885

“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.