SCHEMBL6310071

SCHEMBL6310071

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDR P35968 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PTGER1 P34995 1/20 0.33
MAOB P27338 1/20 0.33
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
HPGD P15428 1/20 0.32
P2RX7 Q99572 1/20 0.32
AHR P35869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
S1PR1 P21453 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
SCHEMBL3061593 0.85 ADRB3 (0.36) IDO1TDP1PTGDR2ALDH1A1HPGD
SCHEMBL6310077 0.80 PTGDR2 (0.36) IDO1TDP1PTGDR2KDM4CKDR
SCHEMBL3069248 0.77 CNR2 (0.37) IDO1PTGDR2KDM4CKDRALDH1A1
SCHEMBL13817470 0.72 IDO1 (0.42) IDO1PTGDR2KDM4CKDRPTGER1
SCHEMBL3071336 0.71 FFAR1 (0.37) TDP1ALDH1A1HPGD
SCHEMBL3067397 0.68 MAPT (0.37) TDP1PTGDR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL6311345 0.68 MAPT (0.43) TDP1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL3061679 0.68 PPARA (0.39)
SCHEMBL6309522 0.67 MAPT (0.38) IDO1KDM4CALDH1A1KDM4AKDM5A
SCHEMBL13817541 0.65 CTSA (0.37) ALDH1A1CNR2

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 IDO1 493/4885TDP1 2709/4885PTGDR2 3674/4885

“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.