Sugi Predict

Sugi Predict / Compounds / SCHEMBL1761885

SCHEMBL1761885

SCHEMBL1761885

O=C(O)c1ccc2ccscc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 1/20 0.54
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ DAO P14920 1/20 0.47
▸ CHEK2 O96017 2/20 0.43
▸ GPR35 Q9HC97 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ TRPM4 Q8TD43 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ EIF4E P06730 1/20 0.36

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
SCHEMBL1526618 0.77 ACMSD (0.51) ACMSDLCKFYNDAOGPR35
SCHEMBL15025193 0.76 ACMSD (0.59) ACMSDLCKFYNDAOCHEK2
SCHEMBL16875850 0.75 ACMSD (0.50) ACMSDLCKFYNDAOGPR35
SCHEMBL16875851 0.75 ACMSD (0.50) ACMSDLCKFYNDAOCHEK2
SCHEMBL22126672 0.74 ACMSD (0.76) ACMSDGPR35ESR2TRPM4
SCHEMBL9674386 0.73 DHODH (0.53) ACMSDCYP2A6CYP2B6DHODH
SCHEMBL9672714 0.73 PTGS2 (0.50) HSD17B10ESR1ESR2CYP2A6CYP2B6
SCHEMBL7951651 0.73 ALAD (0.46) ESR1ESR2DHODHEIF4E
SCHEMBL16875837 0.72 KDM4E (0.50) ACMSDHSD17B10CES2EIF4E
SCHEMBL1126765 0.72 ACMSD (0.50) ACMSDLCKFYNDAOCHEK2

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-8586746-B2 Amino-aza-adamantane derivatives and methods of use ABBVIE INC. (US) 2013-11-19 — — US disclosed
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 — — EP disclosed
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2011-05-19 — — US disclosed
US-7897766-B2 [3H]-(S,S)-2,2-dimethyl-5-(6-phenyl-pyridazin-3-yl)-5-aza-2-azonia-bicyclo[2.2.1]heptane, iodide; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, mild cognitive impairment, age-associated memory impairment ABBOTT LABORATORIES (US) 2011-03-01 — — US disclosed
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 — — US disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 — — 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 (3 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 ACMSD 894/4885LCK 2482/4885FYN 2648/4885
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 ACMSD 894/4885LCK 2482/4885FYN 2648/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 ACMSD 894/4885LCK 2482/4885FYN 2648/4885

“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.