SCHEMBL656930

SCHEMBL656930

Nc1ccc(SC(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
TDP1 Q9NUW8 2/20 1.00
KDM4E B2RXH2 1/20 1.00
PTPRZ1 P23471 4/20 0.50
PTPN1 P18031 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 2/20 0.50
KIF11 P52732 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KCNH2 Q12809 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KCNK2 O95069 1/20 0.35
KCNK10 P57789 1/20 0.35

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
SCHEMBL3896343 0.93 TDP1 (0.86) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL22452926 0.84 ALDH1A1 (0.70) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL11298765 0.82 ALDH1A1 (0.70) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL8639823 0.80 ALDH1A1 (0.67) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL12012131 0.80 ALDH1A1 (0.67) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL25118394 0.77 ALDH1A1 (0.61) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL698212 0.77 ALDH1A1 (0.61) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL10361212 0.77 ALDH1A1 (0.61) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL10978325 0.76 ALDH1A1 (0.61) ALDH1A1TDP1KDM4EPTPRZ1PTPN1
SCHEMBL7940607 0.76 ALDH1A1 (0.61) ALDH1A1TDP1KDM4EPTPRZ1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613279-A N-substituted benzene ring bioisostere and preparation method thereof 上海交通大学 2025-03-14 CN claimed
CN-117105830-A Fluorination method of p-nitrophenyl methyl sulfide 江苏永创医药科技股份有限公司 2023-11-24 CN claimed
CN-117105829-A Chlorination method of p-nitrophenyl methyl sulfide 江苏永创医药科技股份有限公司 2023-11-24 CN claimed
US-20230337447-A1 QUANTUM DOT LIGHT EMITTING DEVICE AND MANUFACTURING METHOD THEREFOR, AND DISPLAY DEVICE Beijing Boe Technology Development Co., Ltd. (CN) 2023-10-19 US claimed
CN-115394930-A Light-emitting device, preparation method thereof and display device 北京京东方技术开发有限公司 2022-11-25 CN claimed
WO-2022062718-A1 QUANTUM DOT LIGHT EMITTING DEVICE AND MANUFACTURING METHOD THEREFOR, AND DISPLAY DEVICE 京东方科技集团股份有限公司 2022-03-31 WO claimed
US-10991972-B2 Electrolyte solution, positive electrode, and lithium-ion battery comprising the electrolyte solution and/or the positive electrode BYD COMPANY LIMITED (CN) 2021-04-27 US claimed
US-20190036156-A1 ELECTROLYTE SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY COMPRISING THE ELECTROLYTE SOLUTION AND/OR THE POSITIVE ELECTRODE BYD COMPANY LIMITED (CN) 2019-01-31 US claimed
EP-3407416-A1 ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY CONTAINING THE ELECTROLYTIC SOLUTION AND/OR THE POSITIVE ELECTRODE BYD Company Limited (CN) 2018-11-28 EP claimed
CN-106609137-A Dark blue organic light-emitting material and preparation method and application thereof 北京大学深圳研究生院 2017-05-03 CN claimed
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 EP claimed
JP-2007523865-A 2007-08-23 JP claimed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 WO claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 1695/4885TDP1 4707/4885KDM4E 3926/4885
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A ALDH1A1 899/4885TDP1 4073/4885KDM4E 2679/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 ALDH1A1 843/4885TDP1 1724/4885KDM4E 2816/4885

“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.