SCHEMBL165754

SCHEMBL165754

CCOC(=O)C(C)(C#N)CSC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
PKM P14618 3/20 0.33
MMP8 P22894 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32
THRB P10828 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3248205 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL15740584 0.79 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL24872768 0.79 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL9181204 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL31346403 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL20348152 0.75 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL15740594 0.75 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL11566033 0.75 MEN1 (0.66) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL9406425 0.75 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL3767338 0.74 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCYP4F2

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 13 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-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
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-8604211-B2 Pesticidal compositions Dow AroSciecnes, LLC. (US) 2013-12-10 US disclosed
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO 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
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 MEN1 3463/4885KMT2A 3522/4885ALDH1A1 1882/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MEN1 2640/4885KMT2A 3773/4885ALDH1A1 1438/4885

“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.