SCHEMBL4397763

SCHEMBL4397763

FC(F)(F)c1ccnc(S)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.57
NOS2 P35228 1/20 0.57
ADRB1 P08588 1/20 0.43
MAPK1 P28482 2/20 0.40
ADRB2 P07550 2/20 0.39
KIF11 P52732 2/20 0.37
AURKA O14965 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
PKM P14618 1/20 0.35
KMO O15229 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
NCF1 P14598 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL31135815 1.00 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ADRB2
Formaldehyde SCHEMBL27676979 0.94 NOS3 (0.52) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL8433719 0.77 KIF11 (0.38) NOS3NOS2KIF11ALDH1A1GAA
SCHEMBL810884 0.76 NOS3 (0.61) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL2327508 0.74 NOS3 (0.59) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL29518423 0.74 NOS3 (0.59) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL607015 0.74 NOS3 (0.59) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL119912 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL1507293 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL1660106 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686203-A1 4-SULFUR SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF Tang, Yajie (CN) 2020-07-29 EP claimed
CN-111454308-A Teniposide derivative and preparation method and application thereof 湖北工业大学 2020-07-28 CN claimed
US-20200216449-A1 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof Tang, YaJie (CN) 2020-07-09 US claimed
US-20200216462-A1 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof Tang, YaJie (CN) 2020-07-09 US claimed
CN-108285456-A 4- sulphur replaces podophyllotoxin derivative and its preparation method and application 汤亚杰 2018-07-17 CN claimed
US-20240400502-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME UNIV QUEENSLAND (AU) 2024-12-05 US disclosed
US-11845715-B2 2023-12-19 US disclosed
US-11845715-B2 2023-12-19 US disclosed
US-11845715-B2 2023-12-19 US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
EP-3686203-B1 4-SULFUR SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF TANG YAJIE (CN) 2023-10-25 EP disclosed
EP-3686203-B1 4-SULFUR SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF TANG YAJIE (CN) 2023-10-25 EP disclosed
EP-1179011-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME Princeton University (US) 2002-02-13 EP disclosed
EP-1095058-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME Princeton University (US) 2001-05-02 EP disclosed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
WO-2000069892-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-11-23 WO disclosed
WO-2000004044-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-01-27 WO disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 US disclosed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 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 (5 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-11845715-B2 NLRP3, PYCARD, NOD1 NOS3 782/4885NOS2 984/4885ADRB1 3387/4885
US-20240400502-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP NOS3 1173/4885NOS2 1762/4885ADRB1 2820/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 NOS3 618/4885NOS2 1134/4885ADRB1 2521/4885
US-20200216462-A1 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof WEE1, WEE2, DHFR NOS3 3215/4885NOS2 2812/4885ADRB1 4016/4885
US-20200216449-A1 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof TPMT, WEE1, DHFR NOS3 3021/4885NOS2 2287/4885ADRB1 4018/4885

“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.