SCHEMBL13053166

SCHEMBL13053166

CN(C)S(=O)(=O)n1cncc1Cc1ccc2c(c1)CCCS2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.35
SLC6A4 P31645 2/20 0.34
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
RYR2 Q92736 2/20 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
SCHEMBL13081106 0.78 SLC5A2 (0.36) SLC5A2PTGS1PTGS2
SCHEMBL6429138 0.66 ALDH1A1 (0.39)
SCHEMBL13053165 0.66 ADRA1D (0.50)
SCHEMBL16499627 0.66 SLC5A2 (0.44) SLC5A2PTGS1PTGS2
SCHEMBL15629940 0.66 CTSL (0.41) SLC5A2SLC6A4PTGS1PTGS2RYR2
SCHEMBL31726624 0.66 SLC5A2 (0.44) SLC5A2PTGS1PTGS2
SCHEMBL16519839 0.65 SLC5A2 (0.42) SLC5A2PTGS1PTGS2
SCHEMBL9838345 0.65 AKR1B1 (0.48) SLC5A2
SCHEMBL7274394 0.64 KDM4E (0.36)
Hydrochloric Acid SCHEMBL7277644 0.63 KDM4E (0.36)

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-7838545-B2 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2010-11-23 US disclosed
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2009-07-09 US disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 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-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A SLC5A2 1767/4885SLC6A4 2505/4885PTGS1 116/4885

“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.