SCHEMBL3274246

SCHEMBL3274246

O=S(=O)(O)c1ccc2c(c1)NC=CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 1/20 0.34
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
NT5E P21589 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP6 P55212 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
SNCA P37840 2/20 0.31
PARP1 P09874 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL3275976 0.87 ALDH1A1 (0.36) ALDH1A1HSD17B10LMNATSHRTDP1
SCHEMBL6442007 0.67 CA1 (0.42) ALDH1A1HSD17B10LMNATSHRTDP1
SCHEMBL2781797 0.66 CA12 (0.54) ALDH1A1LMNAKDM4EHPGDCA12
SCHEMBL8188347 0.66 CA12 (0.54) ALDH1A1LMNAKDM4EHPGDCA12
SCHEMBL31575080 0.66 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL31575081 0.66 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL1970405 0.65 PKM (0.59) ALDH1A1LMNASMN1; SMN2PARP1MEN1
Hydrochloric Acid SCHEMBL28869973 0.65 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL28047339 0.65 ALDH1A1 (0.34) ALDH1A1HSD17B10LMNATSHRTDP1
Fluoride SCHEMBL27399354 0.65 PKM (0.54) ALDH1A1LMNAKDM4ECA12CA2

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-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US disclosed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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-20100087438-A1 New Potassium Channel Blockers KCNJ2, KCNB1, KCNJ11 ALDH1A1 1939/4885HSD17B10 2975/4885LMNA 1376/4885

“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.