SCHEMBL1389266

SCHEMBL1389266

Nc1ccc2cc(SS)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 5/20 0.52
HSD17B10 Q99714 4/20 0.52
CASP1 P29466 3/20 0.50
HIF1A Q16665 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CASP7 P55210 2/20 0.50
HBB P68871 2/20 0.50
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 6/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 3/20 0.40
PLAU P00749 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 4/20 0.39
LMNA P02545 3/20 0.39
F2 P00734 1/20 0.39
CHRM2 P08172 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
SCHEMBL225712 0.80 CYP3A4 (0.56) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL145891 0.79 ALDH1A1 (0.77) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL29367325 0.79 ALDH1A1 (0.77) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL154872 0.76
SCHEMBL11718523 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
Fluoride SCHEMBL27620141 0.76 ALDH1A1 (0.72) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL2177430 0.75 CYP2A6 (0.44) ALDH1A1CYP3A4HSD17B10TDP1LMNA
SCHEMBL442351 0.73 ALDH1A1 (0.83) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL3412594 0.73 ALDH1A1 (0.78) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL29165604 0.73 ALDH1A1 (0.83) ALDH1A1CYP3A4HSD17B10CASP1HIF1A

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3232193-B1 DIAGNOSIS OF MPS I DISORDERS BY MEASURING NON-REDUCING ENDS OF GAGS AFTER ENZYMATIC DIGEST BIOMARIN PHARM INC (US) 2023-03-01 EP disclosed
US-20210025874-A1 METHODS OF DIAGNOSING A DISEASE AND METHODS OF MONITORING TREATMENT OF A DISEASE BY QUANTIFYING A NON-REDUCING END GLYCAN RESIDUAL COMPOUND AND COMPARING TO A SECOND BIOMARKER BIOMARIN PHARMACEUTICAL INC. (US) 2021-01-28 US disclosed
US-20210017570-A1 DETECTION OF OLIGOSACCHARIDES BIOMARIN PHARMACEUTICAL INC. (US) 2021-01-21 US disclosed
US-10793894-B2 Quantification of non-reducing end glycan residual compounds for determining the presence, identity, or severity of a disease or condition BIOMARIN PHARMACEUTICAL INC. (US) 2020-10-06 US disclosed
US-10683530-B2 Detection of oligosaccharides BIOMARIN PHARMACEUTICAL INC. (US) 2020-06-16 US disclosed
US-10677786-B2 Methods of diagnosing mucopolysaccharidosis (MPS) I and methods of monitoring treatment of MPS by quantifying a non-reducing end glycan residual compound and comparing to a second biomarker BIOMARIN PHARMACEUTICAL INC. (US) 2020-06-09 US disclosed
US-20190249224-A1 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS FOR DETERMINING THE PRESENCE, IDENTITY, OR SEVERITY OF A DISEASE OR CONDITION BIOMARIN PHARMACEUTICAL INC. (US) 2019-08-15 US disclosed
US-10260084-B2 Quantification of non-reducing end glycan residual compounds for determining the presence, identity, or severity of a disease or condition BIOMARIN PHARMACEUTICAL INC. (US) 2019-04-16 US disclosed
EP-2900831-B1 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS BIOMARIN PHARM INC (US) 2018-11-21 EP disclosed
EP-2376916-B1 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS BIOMARIN PHARM INC (US) 2018-10-03 EP disclosed
US-20130149729-A1 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS ZACHARON PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
US-8183003-B2 Polymer end group detection ZACHARON PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-20120009616-A1 DETECTION OF OLIGOSACCHARIDES Zacharon Pharmaceuticals Inc. (US) 2012-01-12 US disclosed
EP-2376915-A2 DETECTION OF OLIGOSACCHARIDES Zacharon Pharmaceuticals, Inc. (US) 2011-10-19 EP disclosed
EP-2376916-A2 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS Zacharon Pharmaceuticals, Inc. (US) 2011-10-19 EP disclosed
US-20100184013-A1 DETECTION OF OLIGOSACCHARIDES ZACHARON PHARMACEUTICALS, INC. (US) 2010-07-22 US disclosed
WO-2010078514-A2 QUANTIFICATION OF NON-REDUCING END GLYCAN RESIDUAL COMPOUNDS ZACHARON PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010078515-A2 POLYMER END GROUP DETECTION ZACHARON PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010078511-A2 DETECTION OF OLIGOSACCHARIDES ZACHARON PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
US-20070167608-A1 Sugar chain structure profiling techniques NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2007-07-19 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 (2 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-20210017570-A1 DETECTION OF OLIGOSACCHARIDES MAN2B1, MAN1B1, MAN2B2 ALDH1A1 2893/4885CYP3A4 4510/4885HSD17B10 289/4885
US-10683530-B2 Detection of oligosaccharides MAN2B1, MAN1B1, MAN2B2 ALDH1A1 2893/4885CYP3A4 4510/4885HSD17B10 289/4885

“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.