SCHEMBL4631228

SCHEMBL4631228

O=S(=O)(O)c1cccc(N=C=S)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.51
RAD1 O60671 1/20 0.51
SENP3 Q9H4L4 2/20 0.51
SENP2 Q9HC62 2/20 0.51
SENP1 Q9P0U3 2/20 0.51
SUMO2 P61956 1/20 0.51
SUMO1 P63165 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
TDP1 Q9NUW8 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
CYP2D6 P10635 3/20 0.47
MITF O75030 1/20 0.47
HIF1A Q16665 1/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
MIF P14174 1/20 0.45

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
SCHEMBL10907360 1.00 P2RY6 (0.51) P2RY6RAD1SENP3SENP2SENP1
SCHEMBL10907353 0.98 SENP3 (0.50) P2RY6RAD1SENP3SENP2SENP1
SCHEMBL11298641 0.84 SENP3 (0.52) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL3308195 0.83 SENP3 (0.62) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL3308193 0.83 SENP3 (0.62) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL14257779 0.82 MIF (0.45) P2RY6RAD1TDP1ALDH1A1HSD17B10
SCHEMBL3406988 0.82 CA2 (0.62) CA2CA1CA12CA9GLO1
Hydrochloric Acid SCHEMBL11296130 0.82 SENP3 (0.51) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL10907354 0.81 RAD51 (0.53) P2RY6RAD1TDP1ALDH1A1HSD17B10
SCHEMBL3895082 0.79 P2RY6 (0.47) P2RY6RAD1SENP3SENP2SENP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763510-B1 METHOD FOR SEQUENCING AND QUANTIFYING AMINO ACIDS IN POLYPEPTIDES UNIV KOREA IND & ACAD COOP (KR) 2014-06-18 EP claimed
EP-1763510-B1 METHOD FOR SEQUENCING AND QUANTIFYING AMINO ACIDS IN POLYPEPTIDES UNIV KOREA IND & ACAD COOP (KR) 2014-06-18 EP disclosed
US-8501488-B2 Proteolysis via trypsin; mass spectrometry Korea University Industry and Academy Cooperation Foundation (KR) 2013-08-06 US disclosed
US-20080220483-A1 Compound for Derivatizing Polypeptides and Method for Sequencing and Quantifying Amino Acids in Polypeptides Using the Same Korea University Industry and Academy Cooperation Foundation (KR) 2008-09-11 US disclosed
EP-1763510-A4 COMPOUND FOR DERIVATIZING POLYPEPTIDES AND METHOD FOR SEQUENCING AND QUANTIFIFYING AMINO ACIDS IN POLYPEPTIDES USING THE SAME KOREA UNIVERSITY INDUSTRY & AC (KR) 2008-05-21 EP disclosed
EP-1763510-A1 COMPOUND FOR DERIVATIZING POLYPEPTIDES AND METHOD FOR SEQUENCING AND QUANTIFIFYING AMINO ACIDS IN POLYPEPTIDES USING THE SAME Korea University Industry & Academy Cooperation... (KR) 2007-03-21 EP disclosed
WO-2006004341-A1 COMPOUND FOR DERIVATIZING POLYPEPTIDES AND METHOD FOR SEQUENCING AND QUANTIFIFYING AMINO ACIDS IN POLYPEPTIDES USING THE SAME Korea University Industry and Academy Cooperation Foundation (KR) 2006-01-12 WO disclosed
EP-0035454-A2 Desacetylthymosin alpha 1, its process of preparation and its use GENENTECH, INC. (US) 1981-09-09 EP 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-20080220483-A1 Compound for Derivatizing Polypeptides and Method for Sequencing and Quantifying Amino Acids in Polypeptides Using the Same PTMS, SRMS, BCAT1 P2RY6 3755/4885RAD1 3533/4885SENP3 608/4885

“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.