SCHEMBL17844008

SCHEMBL17844008

CCOC(=O)c1sc(N)nc1-c1ccccc1CC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
HSD17B10 Q99714 2/20 0.70
CYP1A2 P05177 2/20 0.55
FBP1 P09467 1/20 0.54
HPGD P15428 4/20 0.51
CDC7 O00311 7/20 0.51
DBF4 Q9UBU7 7/20 0.51
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
DHODH Q02127 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL11163073 0.86 ALDH1A1 (0.69) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL28719271 0.85 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL330552 0.83 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL18236334 0.79 ALDH1A1 (0.69) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL17844007 0.79 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL1505583 0.77 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL17843982 0.77 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL16075306 0.77 ALDH1A1 (0.81) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL954378 0.77 CDC7 (0.68) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL3401356 0.77 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP1A2FBP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107105657-B Molecules having pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-03-03 CN disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
EP-3232788-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-10-25 EP disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 WO disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 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-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 ALDH1A1 448/4885HSD17B10 2775/4885CYP1A2 906/4885

“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.