SCHEMBL13764189

SCHEMBL13764189

COC(C)C(=O)OC(CC(=O)Nc1ccccc1S(=O)(=O)O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
SCN3A Q9NY46 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13764199 0.90 CA1 (0.37) CA1CA2POLBALDH1A1HSD17B10
SCHEMBL12141371 0.89 CA1 (0.36) CA1CA2POLBALDH1A1HSD17B10
SCHEMBL13764196 0.89 CD40 (0.43) CA1CA2POLBALDH1A1HSD17B10
SCHEMBL13764186 0.87 RAB9A (0.38) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL13764187 0.86 HDAC2 (0.40) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL13764192 0.86 POLB (0.40) CA1CA2POLBALDH1A1HSD17B10
SCHEMBL12141427 0.86 ALDH1A1 (0.40) CA1CA2ALDH1A1KDM4ENPSR1
SCHEMBL12141395 0.86 HTT (0.36) ALDH1A1HSD17B10SMN1; SMN2GAAKMT2A
SCHEMBL12141386 0.86 HDAC2 (0.41) ALDH1A1KMT2A
SCHEMBL13764197 0.85 ALDH1A1 (0.39) CA1CA2ALDH1A1

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-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
US-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor CANON KABUSHIKI KAISHA (JP) 2008-03-13 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-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor FAR1, ACSL4, ACAD11 CA1 1473/4885CA2 1054/4885POLB 3440/4885

“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.