SCHEMBL433199

SCHEMBL433199

Nc1c(S(=O)(=O)O)c2ccc3ccc(S(=O)(=O)O)c4ccc(c1S(=O)(=O)O)c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
TTR P02766 1/20 0.39
CYP1A2 P05177 2/20 0.37
CTRB1 P17538 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 3/20 0.36
HPGD P15428 3/20 0.36
RECQL P46063 3/20 0.36
BLM P54132 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36

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
SCHEMBL30349926 1.00 AURKA (0.44) AURKAAURKBTTRCYP1A2CTRB1
SCHEMBL28048029 0.90 AURKA (0.42) AURKAAURKBTTRCYP1A2CTRB1
SCHEMBL6135405 0.88 AURKA (0.40) AURKAAURKBTTRCYP1A2CTRB1
SCHEMBL6687050 0.85 CTRB1 (0.43) AURKAAURKBTTRCYP1A2CTRB1
SCHEMBL10001904 0.84 AURKA (0.47) AURKAAURKBTTRCYP1A2CTRB1
SCHEMBL18315988 0.83 CTRB1 (0.42) AURKAAURKBTTRCYP1A2CTRB1
SCHEMBL18315990 0.83 CTRB1 (0.42) AURKAAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL11528264 0.82 AURKA (0.46) AURKAAURKBTTRCYP1A2CTRB1
SCHEMBL6535450 0.81 AURKA (0.38) AURKAAURKBTTRCYP1A2CTRB1
SCHEMBL17121328 0.81 AURKA (0.56) AURKAAURKBTTRCYP1A2CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012010851-A1 CAPILLARY ELECTROPHORESIS OF CARBOHYDRATES CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-01-26 WO claimed
EP-4363847-B1 INTEGRATED METHOD FOR URINARY PROSTATE SPECIFIC ANTIGEN N-GLYCOSYLATION PROFILING BY CAPILLARY ELECTROPHORESIS PANNON EGYETEM (HU) 2025-01-15 EP disclosed
US-20240272117-A1 INTEGRATED METHOD FOR URINARY PROSTATE SPECIFIC ANTIGEN N-GLYCOSYLATION PROFILING BY CAPILLARY ELECTROPHORESIS PANNON EGYETEM (HU) 2024-08-15 US disclosed
CN-109923407-A Sugar chain analytic method 株式会社岛津制作所 2019-06-21 CN disclosed
CN-101680014-B Glycosylation of molecules 奥克西雷恩英国有限公司 2018-09-28 CN disclosed
US-10052393-B2 Multifunctional nanomaterials for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-08-21 US disclosed
CN-105579848-A Method for the analysis of N-glycans attached to immunoglobulin G from human blood plasma and its use GENOS D O O 2016-05-11 CN disclosed
CN-102770765-B Use 2-picoline borine as reductive agent reduction amination and analyze carbohydrate Leiden University Hospital under the name Leiden University Medical Center (NL) 2016-02-10 CN disclosed
CN-105121471-A Pertuzumab variants and evaluation thereof HOFFMANN LA ROCHE 2015-12-02 CN disclosed
CN-104379162-A Methods and materials for treating Pompe's disease OXYRANE UK LTD 2015-02-25 CN disclosed
US-20140378831-A1 MULTIFUNCTIONAL NANOMATERIALS FOR THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-12-25 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-20240272117-A1 INTEGRATED METHOD FOR URINARY PROSTATE SPECIFIC ANTIGEN N-GLYCOSYLATION PROFILING BY CAPILLARY ELECTROPHORESIS KLK3, MAN2B2, ENGASE AURKA 3540/4885AURKB 3980/4885TTR 1686/4885

“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.