SCHEMBL3061679

SCHEMBL3061679

COc1ccc2sc(SCC(C(=O)OCc3ccc(Cl)c(C(F)(F)F)c3)C(O)c3cccnc3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 5/20 0.38
CLK1 P49759 1/20 0.37
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL3067397 0.93 MAPT (0.37) PPARATP53MAPTEGFRLMNA
SCHEMBL6311345 0.88 MAPT (0.43) PPARATP53MAPTLMNAL3MBTL1
SCHEMBL6533824 0.84 MAPT (0.41) PPARATP53MAPTCLK1LMNA
SCHEMBL3061593 0.83 ADRB3 (0.36) PPARAMAPTLMNAOPRK1CYP3A4
SCHEMBL3069248 0.82 CNR2 (0.37) MAPTLMNAOPRK1
SCHEMBL3075544 0.81 ALDH1A1 (0.41) PPARAMAPTLMNACYP1A2CYP3A4
SCHEMBL6309522 0.81 MAPT (0.38) PPARAMAPTLMNAOPRK1
SCHEMBL3074998 0.77 MEN1 (0.40) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL3075097 0.75 MEN1 (0.40) MAPTCLK1LMNACYP1A2CYP3A4
SCHEMBL3076028 0.73 FFAR1 (0.37) MAPT

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
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR PPARA 444/4885TP53 4039/4885MAPT 4435/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 PPARA 1905/4885TP53 3976/4885MAPT 4877/4885

“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.