SCHEMBL1361201

SCHEMBL1361201

CCOC(=O)C(C)(S)Oc1ccc2nc(NC)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 10/20 0.48
POLB P06746 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PTPN1 P18031 3/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
STAT1 P42224 1/20 0.46

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
SCHEMBL18585932 0.74 NPC1 (0.77) SMN1; SMN2MEN1KMT2AGAAHPGD
SCHEMBL15271273 0.73 DYRK1A (0.73) DYRK1ATSHRSMN1; SMN2POLBMEN1
SCHEMBL1361198 0.73 SMN1; SMN2 (0.49) TSHRSMN1; SMN2POLBMEN1KMT2A
SCHEMBL9776980 0.73 DYRK1A (0.70) DYRK1ASMN1; SMN2MEN1KMT2AGAA
SCHEMBL1928587 0.71 FBP1 (0.39) TSHRSMN1; SMN2MEN1KMT2AGAA
SCHEMBL8280120 0.70 NPC1 (0.70) DYRK1ATSHRSMN1; SMN2POLBMEN1
SCHEMBL15271105 0.69 TSHR (0.77) DYRK1ATSHRSMN1; SMN2LMNANPC1
SCHEMBL21729400 0.68 DYRK1A (0.76) DYRK1ATSHRSMN1; SMN2POLBKMT2A
SCHEMBL22746026 0.68 MAPT (0.58) DYRK1ASMN1; SMN2POLBMEN1KMT2A
SCHEMBL1359993 0.68 LDHA (0.51) DYRK1ATSHRSMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067592-B2 N-alkyny-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2011-11-29 US disclosed
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2007-02-22 US disclosed
EP-1638928-A1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES Syngenta Limited (GB) 2006-03-29 EP disclosed
WO-2004108663-A1 N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 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-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 DYRK1A 3076/4885TSHR 241/4885SMN1; SMN2 2161/4885

“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.