SCHEMBL514627

SCHEMBL514627

[CH2]SCc1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.42
CYP3A4 P08684 2/20 0.41
IDO1 P14902 2/20 0.41
DAO P14920 1/20 0.38
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
APEX1 P27695 1/20 0.33
PMP22 Q01453 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
SCHEMBL8824005 0.78 APP (0.45) APPCYP3A4IDO1DAOCDC7
SCHEMBL13271320 0.76 APP (0.44) APPCYP3A4IDO1DAOCDC7
SCHEMBL514208 0.74 ALDH1A1 (0.50) CYP3A4IDO1
SCHEMBL515185 0.74 IDO1 (0.50) IDO1CYP1A2
SCHEMBL514628 0.74 APP (0.47) APPCYP3A4IDO1DAOCYP1A2
SCHEMBL1145691 0.74 IDO1 (0.50) IDO1CYP1A2CYP2D6
SCHEMBL1145659 0.74 IDO1 (0.50) IDO1
SCHEMBL25015314 0.72 APP (0.71) APPCYP3A4IDO1DAOCDC7
SCHEMBL8824002 0.72 APP (0.46) APPCYP3A4IDO1DAO
SCHEMBL1145093 0.70 SLC6A4 (0.48) CYP3A4CYP1A2

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
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 APP 4785/4885CYP3A4 2169/4885IDO1 2656/4885

“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.