SCHEMBL3075544

SCHEMBL3075544

O=C(OCc1cccc(C(F)(F)F)c1)C(CSc1nc2cc(Cl)ccc2s1)C(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARA Q07869 6/20 0.39
GAA P10253 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3074998 0.91 MEN1 (0.40) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL3067161 0.85 KCNA5 (0.39) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL3076028 0.85 FFAR1 (0.37) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL3078927 0.82 FFAR1 (0.38) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL3074292 0.82 FFAR1 (0.40) ALDH1A1GAAL3MBTL1MAOBFFAR1
SCHEMBL3071336 0.82 FFAR1 (0.37) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL6316513 0.81 FFAR1 (0.41) ALDH1A1MEN1KMT2ATSHRNPC1
SCHEMBL3076912 0.81 FFAR1 (0.43) ALDH1A1KMT2AKCNH2L3MBTL1FFAR1
SCHEMBL3069083 0.81 KCNA5 (0.44) ALDH1A1MAPTGAAMAOBFFAR1
SCHEMBL3067158 0.80 FFAR1 (0.36) MAPTL3MBTL1MAOBFFAR1

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-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 disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 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 ALDH1A1 99/4885MEN1 1608/4885MAPT 4435/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 ALDH1A1 764/4885MEN1 2476/4885MAPT 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.