SCHEMBL21533686

SCHEMBL21533686

O=C(OCCS(=O)(=O)O)OCc1cc(=O)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ POLB P06746 4/20 0.48
▸ NPC1 O15118 8/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ HSD17B3 P37058 2/20 0.42
▸ HPGD P15428 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ USP2 O75604 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL9958831 0.87 CA12 (0.51) ALDH1A1KDM4EPOLBNPC1KMT2A
SCHEMBL21533685 0.85 HSD17B3 (0.45) ALDH1A1KDM4EPOLBNPC1KMT2A
SCHEMBL21533658 0.84 KDM4E (0.45) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL24818340 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBNPC1KMT2A
SCHEMBL24487061 0.80 KMT2A (0.42) ALDH1A1KDM4EPOLBNPC1KMT2A
SCHEMBL14329543 0.80 HSD17B3 (0.51) ALDH1A1KDM4EPOLBNPC1KMT2A
SCHEMBL21533755 0.79 KMT2A (0.41) ALDH1A1KDM4EPOLBNPC1KMT2A
SCHEMBL21533705 0.79 CDYL (0.46) ALDH1A1KDM4EPOLBNPC1KMT2A
SCHEMBL21171763 0.79 MMP2 (0.48) ALDH1A1KDM4ENPC1KMT2ARAB9A
SCHEMBL14329541 0.78 HSD17B3 (0.53) ALDH1A1KDM4EPOLBNPC1KMT2A

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-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 — — US disclosed
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2019-10-31 — — 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 (2 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-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT ALDH1A1 264/4885KDM4E 3466/4885POLB 4248/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT ALDH1A1 264/4885KDM4E 3466/4885POLB 4248/4885

“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.

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