SCHEMBL255850

SCHEMBL255850

CN(C(=O)OCC[S+](C)[O-])c1nnc(-c2cccnc2)s1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 12/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 3/20 0.56
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.48
S1PR1 P21453 1/20 0.48
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL10247004 0.85 HSD17B10 (0.61) HSD17B10KDM4ETSHRMAPTMEN1
SCHEMBL174478 0.84 HSD17B10 (0.61) HSD17B10KDM4ETSHRMAPTMEN1
SCHEMBL10247006 0.84 HSD17B10 (0.66) HSD17B10KDM4ETSHRMAPTMEN1
SCHEMBL173331 0.83 HSD17B10 (0.59) HSD17B10KDM4ETSHRMAPTMEN1
SCHEMBL10246874 0.82 HSD17B10 (0.58) HSD17B10KDM4ETSHRMAPTMEN1
SCHEMBL255583 0.81 HSD17B10 (0.61) HSD17B10KDM4ETSHRMAPTMEN1
SCHEMBL255153 0.78 HSD17B10 (0.58) HSD17B10KDM4ETSHRMAPTMEN1
SCHEMBL10246811 0.78 HSD17B10 (0.57) HSD17B10KDM4ETSHRMAPTMEN1
SCHEMBL10246838 0.75 HSD17B10 (0.67) HSD17B10KDM4ETSHRMAPTMEN1
SCHEMBL718812 0.75 HSD17B10 (0.73) HSD17B10KDM4ETSHRMAPTMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 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 (2 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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 2001/4885KDM4E 2988/4885TSHR 1346/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 733/4885KDM4E 2511/4885TSHR 1032/4885

“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.