SCHEMBL6449698

SCHEMBL6449698

[AsH2]CCCc1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
CYP3A4 P08684 2/20 0.39
IDO1 P14902 2/20 0.39
APP P05067 2/20 0.38
SPHK2 Q9NRA0 6/20 0.36
SPHK1 Q9NYA1 6/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5243221 0.84 CYP3A4 (0.46) SIGMAR1CYP3A4IDO1APPSPHK2
SCHEMBL6510298 0.78 CYP3A4 (0.50) SIGMAR1CYP3A4IDO1APPCYP1A2
SCHEMBL2355588 0.78 CYP3A4 (0.50) SIGMAR1CYP3A4IDO1APPCYP1A2
SCHEMBL20631948 0.77 ALDH1A1 (0.42) SIGMAR1CYP3A4IDO1APPSPHK2
SCHEMBL3032451 0.77 CYP3A4 (0.41) SIGMAR1CYP3A4IDO1APPSPHK2
SCHEMBL1004906 0.75 CA2 (0.50) SIGMAR1CYP3A4IDO1SPHK2SPHK1
SCHEMBL15352442 0.75 SIGMAR1 (0.40) SIGMAR1CYP3A4IDO1APPSPHK2
SCHEMBL7560719 0.75 SIGMAR1 (0.40) SIGMAR1CYP3A4IDO1APPSPHK2
SCHEMBL14022427 0.75 SIGMAR1 (0.40) SIGMAR1CYP3A4IDO1APPSPHK2
SCHEMBL11663225 0.75 SIGMAR1 (0.40) SIGMAR1CYP3A4IDO1APPSPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888022-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ATHENA NEUROSCIENCES, INC. (US) 2005-05-03 US disclosed
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-05-02 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-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP SIGMAR1 4176/4885CYP3A4 4360/4885IDO1 2829/4885

“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.