SCHEMBL3521392

SCHEMBL3521392

O=C(CCCCS)OCCS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
FOLH1 Q04609 1/20 0.48
DNM1 Q05193 1/20 0.46
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
MAPT P10636 2/20 0.37
BLM P54132 1/20 0.37
PAM P19021 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9565022 0.98 DGKA (0.54) DGKAFOLH1DNM1FNTAFNTB
SCHEMBL11358573 0.98 DGKA (0.54) DGKAFOLH1DNM1FNTAFNTB
SCHEMBL206960 0.95 DGKA (0.54) DGKAFOLH1DNM1FNTAFNTB
SCHEMBL11170949 0.93 DGKA (0.58) DGKAFOLH1DNM1FNTAFNTB
SCHEMBL11164524 0.93 DGKA (0.58) DGKAFOLH1DNM1FNTAFNTB
SCHEMBL31576091 0.93 DGKA (0.58) DGKAFOLH1DNM1FNTAFNTB
SCHEMBL11165289 0.93 DGKA (0.58) DGKAFOLH1DNM1FNTAFNTB
SCHEMBL3515972 0.93 DGKA (0.46) DGKAFOLH1DNM1FNTAFNTB
SCHEMBL3516020 0.91 DGKA (0.50) DGKAFOLH1DNM1FNTAFNTB
SCHEMBL3517120 0.91 DGKA (0.50) DGKAFOLH1DNM1ADRA2AADRA1A

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
WO-2017189953-A1 POLY(KETALS) AND RELATED COMPOSITIONS AND METHODS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 WO disclosed
US-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS CHEMTURA CORPORATION (US) 2010-07-29 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-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS SULT1E1, SULT1A1, TST DGKA 4070/4885FOLH1 4882/4885DNM1 3213/4885

“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.