SCHEMBL21172169

SCHEMBL21172169

O=S(=O)(O)CCSCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.56
ALDH1A1 P00352 9/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL24486913 0.89 CYP2C19 (0.53) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13431933 0.81 RECQL (0.57) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL353520 0.81 ALDH1A1 (0.49) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL24487029 0.80 CYP2C19 (0.50) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL21533724 0.80 LMNA (0.46) SMN1; SMN2LMNAHTTCYP1A2CA2
Thiosulfuric Acid SCHEMBL27471984 0.78 CYP2C19 (0.52) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
Thiosulfuric Acid SCHEMBL27471985 0.78 CYP2C19 (0.52) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13778165 0.78 BCHE (0.47) ALDH1A1GAACA2
SCHEMBL17382639 0.76 CYP2C19 (0.41) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3078147 0.76 CYP2C19 (0.64) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA

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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals 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

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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 CYP2C19 4145/4885ALDH1A1 1650/4885HPGD 4074/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT CYP2C19 3936/4885ALDH1A1 264/4885HPGD 1578/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT CYP2C19 3936/4885ALDH1A1 264/4885HPGD 1578/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT CYP2C19 3936/4885ALDH1A1 264/4885HPGD 1578/4885

“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.