SCHEMBL17758573

SCHEMBL17758573

COC(=S)NCCNC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL17758565 0.91 MEN1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL17758515 0.82
SCHEMBL3079040 0.77 CYP1A2 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL11403921 0.74 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL17407236 0.73
SCHEMBL17758572 0.73 KDM4E (0.37) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL13526678 0.73 EPHX1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL11434568 0.73 POLB (0.36) KMT2A
SCHEMBL11222356 0.72 MAPK1 (0.41) SMN1; SMN2TSHRHIF1AALOX15
SCHEMBL395191 0.71

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 6 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-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 (4 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 MEN1 3289/4885CYP1A2 2545/4885KMT2A 2258/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT MEN1 3289/4885CYP1A2 2545/4885KMT2A 2258/4885
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 MEN1 2746/4885CYP1A2 4637/4885KMT2A 3081/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT MEN1 3289/4885CYP1A2 2545/4885KMT2A 2258/4885

“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.