SCHEMBL3586670

SCHEMBL3586670

O=C(O)c1cc(N=C=S)c(C(=O)O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SIRT5 Q9NXA8 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALB P02768 1/20 0.32
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
MEN1 O00255 1/20 0.31
PDE4A P27815 1/20 0.31
BLVRB P30043 1/20 0.31
KDR P35968 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL3002544 0.79 KDM4E (0.37) KDM4EMEN1KMT2A
SCHEMBL3574019 0.79 ALDH1A1 (0.40) KDM4EAKR1C2AKR1C1MEN1HTT
SCHEMBL9492204 0.78 KEAP1 (0.38) KEAP1KDM4ENFE2L2AKR1C2AKR1C1
SCHEMBL2903057 0.77 ALDH1A1 (0.39) KDM4EKMT2A
SCHEMBL1713733 0.76 KDM4E (0.54) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL2903560 0.75 ALDH1A1 (0.39) KDM4E
SCHEMBL3009294 0.75 LCK (0.49) KDM4ECYP3A4MEN1HTTKMT2A
SCHEMBL15391204 0.74 HSD17B10 (0.41) KDM4ESIRT5CYP3A4ALBAKR1C2
SCHEMBL2899363 0.71 NEU3 (0.45) KDM4E
SCHEMBL363928 0.71 KEAP1 (0.50) KEAP1KDM4EASPHKDM8NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 KEAP1 104/4885KDM4E 206/4885ASPH 17/4885

“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.