SCHEMBL592128

SCHEMBL592128

O=S(=O)(O)c1ccc2ccc3cccc4ccc1c2c34.[Na]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
CTRB1 P17538 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 6/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
HSD17B10 Q99714 5/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TTR P02766 2/20 0.43
FABP4 P15090 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
SCHEMBL29623330 0.98 AURKA (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL28203347 0.98 AURKA (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL139959 0.98 AURKA (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL29825144 0.98 AURKA (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
Water SCHEMBL14688267 0.96 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL18205264 0.96 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11162639 0.96 CTRB1 (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
Water SCHEMBL29714759 0.96 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL592126 0.96 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL27783050 0.96 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680202-B2 Fluorescent compositions NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2023-06-20 US claimed
CN-112661973-B Preparation and structure of calixadine and pyrene sulfonate supramolecular nanoparticles and application of calixadine and pyrene sulfonate supramolecular nanoparticles in induced aggregation luminescence 天津师范大学 2022-12-06 CN claimed
CN-111808078-B Lenalidomide derivative for inhibiting IDO1 activity and preparation method and application thereof 济南爱思医药科技有限公司 2022-10-11 CN claimed
CN-114901754-A Methods and compositions for producing graphene polyurethane foams 普世物料公司 2022-08-12 CN claimed
CN-111875589-B Indirubin derivative used in combination with polypeptide and preparation method and application thereof 济南爱思医药科技有限公司 2022-07-15 CN claimed
CN-110698326-B Synthesis method of 1-hydroxypyrene 福建福瑞明德药业有限公司 2022-04-26 CN claimed
US-20210348054-A1 FLUORESCENT COMPOSITIONS NAT TECH & ENG SOLUTIONS SANDIA LLC (US) 2021-11-11 US claimed
CN-113512135-A Preparation method of oxime ester photoinitiator 优缔贸易(上海)有限公司 2021-10-19 CN claimed
US-11084978-B2 Fluorescent compositions NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2021-08-10 US claimed
WO-2021077233-A1 METHODS AND COMPOSITIONS FOR PRODUCING GRAPHENE POLYURETHANE FOAMS UNIVERSAL MATTER INC. (CA) 2021-04-29 WO claimed
CN-112661973-A Preparation and structure of calixadine and pyrene sulfonate supramolecular nanoparticles and application of calixadine and pyrene sulfonate supramolecular nanoparticles in induced aggregation luminescence 天津师范大学 2021-04-16 CN claimed
CN-111875589-A Indirubin derivative used in combination with polypeptide and preparation method and application thereof 济南爱思医药科技有限公司 2020-11-03 CN claimed
CN-111808078-A Lenalidomide derivative for inhibiting IDO1 activity and preparation method and application thereof 济南爱思医药科技有限公司 2020-10-23 CN claimed
US-20200326280-A1 QUANTITATIVE DETECTION OF NON-FLUORINE ANTI-SOIL USING A FLUORESCENT TRACE INDICATOR TARKETT USA INC. (US) 2020-10-15 US claimed
US-20200148946-A1 FLUORESCENT COMPOSITIONS RATIONAL TECH & ENGINEERING SOLUTIONS OF SANDIA LLC (US) 2020-05-14 US claimed
CN-110698326-A Synthesis method of 1-hydroxypyrene 福建福瑞明德药业有限公司 2020-01-17 CN claimed
CN-107555423-B Stripping solution for preparing two-dimensional nano material and application thereof 雅迪科技集团有限公司 2019-12-27 CN claimed
EP-2960205-A1 Stable aqueous graphene suspension and its use in producing graphene polymer nanocomposites Solvay SA (BE) 2015-12-30 EP claimed
US-11939481-B2 Nanosurfactant formulations and use therefor UNIVERSITY OF NOTRE DAME DU LAC (US) 2024-03-26 US disclosed
WO-2004077097-A2 SELF-INDICATING RADIATION ALERT DOSIMETER JP LABORATORIES INC. (US) 2004-09-10 WO 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-20200326280-A1 QUANTITATIVE DETECTION OF NON-FLUORINE ANTI-SOIL USING A FLUORESCENT TRACE INDICATOR AFF2, AFF1, AFF4 AURKA 4419/4885AURKB 4614/4885CTRB1 4359/4885

“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.