SCHEMBL17758549

SCHEMBL17758549

CCN(CC)CCNC(=S)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP2D6 P10635 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ADRA2A P08913 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ ACHE P22303 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SLC22A1 O15245 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SLC22A2 O15244 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
SCHEMBL17758465 0.88 NPC1 (0.46) KMT2AMEN1CYP2D6CYP1A2LMNA
SCHEMBL16450789 0.77 KMT2A (0.46) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL17758487 0.77 ALDH1A1 (0.37) CYP3A4ALDH1A1HPGDCYP2C9
SCHEMBL10942900 0.76 KMT2A (0.45) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL13037027 0.74 EPHX1 (0.50) KMT2ACYP2D6CYP1A2CYP3A4ADRA2A
SCHEMBL9319541 0.74 KMT2A (0.51) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL17758464 0.74 KMT2A (0.51) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL7322369 0.74 — —
SCHEMBL16449772 0.72 KMT2A (0.42) KMT2AMEN1CYP2D6CYP1A2CYP3A4
SCHEMBL10378132 0.70 — —

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 7 patents. 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
US-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 — — US disclosed
US-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 — — US disclosed
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
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 — — US disclosed
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 — — 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 (5 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 KMT2A 2994/4885MEN1 1473/4885CYP2D6 2067/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT KMT2A 2258/4885MEN1 3289/4885CYP2D6 1317/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT KMT2A 2258/4885MEN1 3289/4885CYP2D6 1317/4885
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 KMT2A 3081/4885MEN1 2746/4885CYP2D6 3838/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT KMT2A 2258/4885MEN1 3289/4885CYP2D6 1317/4885

“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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