SCHEMBL6068628

SCHEMBL6068628

NC(=O)c1cc(F)c(C(=O)O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.50
ROCK2 O75116 1/20 0.46
KDM4E B2RXH2 3/20 0.45
KEAP1 Q14145 2/20 0.45
ASPH Q12797 1/20 0.45
KDM8 Q8N371 1/20 0.45
NFE2L2 Q16236 1/20 0.45
PARP1 P09874 2/20 0.39
ALB P02768 1/20 0.39
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PARP10 Q53GL7 2/20 0.36
PARP15 Q460N3 1/20 0.36
KMT2A Q03164 3/20 0.35
GFER P55789 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35

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
SCHEMBL811340 0.90 DGAT1 (0.58) DGAT1ROCK2KDM4EKEAP1NFE2L2
SCHEMBL6657490 0.88 KEAP1 (0.46) DGAT1ROCK2KDM4EKEAP1ASPH
SCHEMBL1713733 0.87 KDM4E (0.54) DGAT1KDM4EKEAP1ASPHKDM8
SCHEMBL9853614 0.86 KEAP1 (0.45) DGAT1ROCK2KDM4EKEAP1ASPH
SCHEMBL2323641 0.85 DGAT1 (0.54) DGAT1ROCK2KDM4EPARP1CES2
Ammonia Solution, Strong SCHEMBL10949233 0.84 KEAP1 (0.44) DGAT1ROCK2KDM4EKEAP1ASPH
Hydrochloric Acid SCHEMBL29810612 0.83 DGAT1 (0.52) DGAT1ROCK2KDM4EKEAP1NFE2L2
SCHEMBL31258575 0.82 KEAP1 (0.50) KDM4EKEAP1ASPHKDM8NFE2L2
SCHEMBL363928 0.82 KEAP1 (0.50) KDM4EKEAP1ASPHKDM8NFE2L2
Hydrochloric Acid SCHEMBL11035410 0.80 KEAP1 (0.48) KDM4EKEAP1ASPHKDM8NFE2L2

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
US-7105538-B2 2-pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2006-09-12 US disclosed
US-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2005-08-25 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-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants OPRD1, OPRK1, GRIN2C DGAT1 3267/4885ROCK2 1412/4885KDM4E 1219/4885

“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.