SCHEMBL514208

SCHEMBL514208

[CH2]SCc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GFER P55789 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.42
NOS1 P29475 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 1/20 0.37
TP53 P04637 1/20 0.36
IDO1 P14902 5/20 0.35

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
SCHEMBL3244307 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL3241999 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL1145659 0.74 IDO1 (0.50) ALDH1A1TDP1LOXL2KMT2ANPC1
SCHEMBL14081380 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL1145691 0.74 IDO1 (0.50) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL23177886 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL514627 0.74 APP (0.42) CYP3A4IDO1
SCHEMBL9976791 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL514209 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL515185 0.74 IDO1 (0.50) ALDH1A1TDP1RAB9AIDO1

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-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-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 ALDH1A1 1574/4885CYP3A4 2169/4885TSHR 307/4885

“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.