SCHEMBL16499804

SCHEMBL16499804

CC(=O)Nc1ccc(C)c(SC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
RAB9A P51151 1/20 0.45
TNNC1 P63316 1/20 0.45
RUNX1 Q01196 1/20 0.45
CBFB Q13951 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44

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
SCHEMBL917057 0.84 POLB (0.50) ALDH1A1SMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL917591 0.83 POLB (0.49) ALDH1A1SMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL917176 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HSD17B10HTTKMT2A
SCHEMBL13716084 0.78 SMN1; SMN2 (0.44) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL29990241 0.77 POLB (0.68) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL2336203 0.77 POLB (0.68) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL17812280 0.75 L3MBTL1 (0.43) ALDH1A1TDP1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL31725340 0.74 KMT2A (0.65) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL8716883 0.74 KMT2A (0.65) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL8537529 0.74 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT

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-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
EP-2840078-B1 ALKYLPHENYLSULPHIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-01-03 EP disclosed
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-07-28 US disclosed
US-9332754-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-05-10 US disclosed
US-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-03-26 US disclosed
EP-2840078-A1 ALKYLPHENYLSULPHIDE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2015-02-25 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 (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-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 ALDH1A1 2890/4885TDP1 4647/4885SMN1; SMN2 2399/4885
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 ALDH1A1 2890/4885TDP1 4647/4885SMN1; SMN2 2399/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 ALDH1A1 2890/4885TDP1 4647/4885SMN1; SMN2 2399/4885

“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.