SCHEMBL6310077

SCHEMBL6310077

Cc1csc(SCC(CO)(C(=O)OCc2ccc(Cl)c(C(F)(F)F)c2)c2nccs2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
IDO1 P14902 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGER1 P34995 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX5 P09917 1/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.32
AHR P35869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
S1PR1 P21453 1/20 0.32
KDR P35968 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6310071 0.80 IDO1 (0.35) PTGDR2IDO1TDP1PTGER1KDM4C
SCHEMBL3069248 0.65 CNR2 (0.37) PTGDR2IDO1KDM4CALDH1A1HTT
SCHEMBL13817470 0.64 IDO1 (0.42) PTGDR2IDO1PTGER1KDM4CMAOB
SCHEMBL11229326 0.62 IDO1 (0.62) PTGDR2IDO1KDM4CALDH1A1MAOB
SCHEMBL28785033 0.58 IDO1 (0.52) PTGDR2IDO1KDM4CMAOBHTT
SCHEMBL1859313 0.57 IDO1 (1.00) IDO1MAOB
SCHEMBL13817541 0.57 CTSA (0.37) ALDH1A1ALOX5CNR2
SCHEMBL6239486 0.56 PTGDR2 (0.56) PTGDR2IDO1PTGER1KDM4CMAOB
SCHEMBL11226746 0.55 IDO1 (0.45) PTGDR2IDO1MAOBSMN1; SMN2
SCHEMBL8517915 0.55 MAPT (0.51) ALDH1A1HPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR PTGDR2 3674/4885IDO1 493/4885TDP1 2709/4885

“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.