SCHEMBL24818340

SCHEMBL24818340

O=C(NCCS(=O)(=O)O)OCc1cc(=O)oc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 6/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 8/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HSD17B3 P37058 1/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL21171975 0.81 RECQL (0.42) ALDH1A1NPC1RAB9ARECQLHSD17B3
SCHEMBL21533686 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL21533688 0.80 KMT2A (0.45) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL21533706 0.80 MEN1 (0.45) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL21171768 0.80 MMP2 (0.49) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL21533685 0.78 HSD17B3 (0.45) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL21171711 0.78 NPC1 (0.46) ALDH1A1NPC1RAB9ARECQLHSD17B3
SCHEMBL9958831 0.77 CA12 (0.51) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL24486988 0.77 KMT2A (0.44) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL14329541 0.76 HSD17B3 (0.53) ALDH1A1KDM4EPOLBKMT2AMEN1

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-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2022-12-29 — — 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-20220412963-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

“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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