SCHEMBL22700985

SCHEMBL22700985

O=C1N(CCCCCCCS)CCN1CCCCCCCS

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
LARS1 Q9P2J5 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HSP90AA1 P07900 1/20 0.30
TLR9 Q9NR96 1/20 0.30
FAAH O00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 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
SCHEMBL22700983 1.00 BCHE (0.36) BCHEACHEDRD3KCNH2LARS1
SCHEMBL22701035 1.00 BCHE (0.36) BCHEACHEDRD3KCNH2LARS1
SCHEMBL22701036 1.00 BCHE (0.36) BCHEACHEDRD3KCNH2LARS1
SCHEMBL22701037 0.98 BCHE (0.34) BCHEACHEDRD3KCNH2
SCHEMBL22367631 0.91 DRD3 (0.33) BCHEACHEDRD3KCNH2
SCHEMBL18367498 0.78
SCHEMBL9769185 0.77 GBA1 (0.47) BCHEACHEHSP90AA1FAAHALDH1A1
SCHEMBL9769271 0.77 GBA1 (0.47) BCHEACHEHSP90AA1FAAHALDH1A1
SCHEMBL9617015 0.77 GBA1 (0.47) BCHEACHEHSP90AA1FAAHALDH1A1
SCHEMBL31093212 0.77 GBA1 (0.47) BCHEACHEHSP90AA1FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 2020-11-26 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 (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-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS TMT1A, CTH, SLC7A11 BCHE 1496/4885ACHE 2232/4885DRD3 3293/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 BCHE 1496/4885ACHE 2232/4885DRD3 3293/4885

“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.