SCHEMBL3969722

SCHEMBL3969722

Cc1cc(OC(F)F)cnc1S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
AGTR1 P30556 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR9 Q9NR96 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SCN9A Q15858 3/20 0.34
SCN5A Q14524 1/20 0.34
HDAC6 Q9UBN7 2/20 0.32
BRD4 O60885 1/20 0.31
BACE1 P56817 6/20 0.31
CTSD P07339 4/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CA P42336 2/20 0.31
PRKDC P78527 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 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
SCHEMBL17177877 0.77 MEN1 (0.36) MEN1AGTR1RAB9AKMT2ATLR9
SCHEMBL18679972 0.76 LMNA (0.34) MEN1KMT2ABACE1CTSDALDH1A1
SCHEMBL24588076 0.75 MBOAT4 (0.36) BACE1CTSDLMNAPIK3CAPRKDC
SCHEMBL26022223 0.75 TDP1 (0.39) KMT2ASCN9ASMN1; SMN2
SCHEMBL1550685 0.74 TLR9 (0.48) MEN1AGTR1RAB9AKMT2ATLR9
SCHEMBL30548238 0.73 PDIA6 (0.36) PIK3CAPIK3CD
SCHEMBL24588295 0.73 PIK3C3 (0.38) MEN1AGTR1RAB9AKMT2ATLR9
SCHEMBL25363663 0.73 PDIA6 (0.36) PIK3CAPIK3CD
SCHEMBL26028918 0.73 MAPT (0.43) MEN1RAB9AKMT2AALDH1A1LMNA
SCHEMBL15201659 0.73 PIK3CA (0.32) RAB9ABACE1CTSDLMNAPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078721-B1 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2014-01-22 EP disclosed
EP-2078721-A2 Thieno-pyrimidime compounds having fungicidal activity Dow AgroSciences LLC (US) 2009-07-15 EP disclosed
US-7531482-B2 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2009-05-12 US disclosed
EP-1937691-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2008-07-02 EP disclosed
US-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2007-04-26 US disclosed
WO-2007046809-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2007-04-26 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-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS MEN1 3461/4885AGTR1 4286/4885RAB9A 3314/4885

“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.