SCHEMBL17325397

SCHEMBL17325397

Cc1cccc([S+]([O-])CC(=O)N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIN2B Q13224 6/20 0.36
GRIN1 Q05586 2/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
JAK2 O60674 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL29182288 0.82 TDP1 (0.38) HPGDTDP1PARP1ALDH1A1TAS2R14
SCHEMBL18720492 0.81 KDM4E (0.38) HPGDTDP1ALDH1A1HTTACHE
SCHEMBL30929942 0.78 KMT2A (0.39) ALDH1A1KMT2ALMNAHDAC8HDAC6
SCHEMBL18739071 0.77 HDAC4 (0.43) HPGDALDH1A1ACHEMEN1MAPT
SCHEMBL13925861 0.77 KDM4E (0.38) HPGDALDH1A1ACHE
SCHEMBL3889189 0.72 ACHE (0.44) HPGDTDP1ALDH1A1HTTNPC1
SCHEMBL24764747 0.71 ACHE (0.42) TDP1PARP1ALDH1A1HTTNPC1
SCHEMBL14744393 0.69 MEN1 (0.49) HPGDALDH1A1HTTNPC1RAB9A
SCHEMBL14743271 0.69 MEN1 (0.49) HPGDALDH1A1HTTNPC1RAB9A
SCHEMBL14743269 0.69 MEN1 (0.49) HPGDALDH1A1HTTNPC1RAB9A

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-20170101422-A1 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
WO-2015185531-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-10 WO 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-20170101422-A1 Bicyclic compounds as pesticides DDT, BCHE, CYCS HPGD 2063/4885TDP1 2969/4885GRIN2B 693/4885

“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.