SCHEMBL518852

SCHEMBL518852

Oc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
PTPRZ1 P23471 4/20 0.50
PTPN1 P18031 2/20 0.50
NR1H2 P55055 1/20 0.50
LMNA P02545 2/20 0.44
KIF11 P52732 2/20 0.44
HTT P42858 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
KCNK2 O95069 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
KCNK10 P57789 2/20 0.42
MEN1 O00255 1/20 0.42
CA12 O43570 1/20 0.42
GMNN O75496 1/20 0.42
CA1 P00915 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
Phenol SCHEMBL28143703 0.83 TDP1 (0.50) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL10978325 0.81 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL8712721 0.81 KIF11 (0.59) ALDH1A1KDM4EKIF11KCNK2NPC1
SCHEMBL19356939 0.77 NR1H2 (0.42) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL24384354 0.76 NR1H2 (0.52) ALDH1A1KDM4ETDP1NR1H2LMNA
SCHEMBL7940607 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL5919444 0.75 NR1H2 (0.46) ALDH1A1KDM4ETDP1NR1H2LMNA
SCHEMBL7014603 0.74 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL2480563 0.74 NR1H2 (0.50) ALDH1A1KDM4ENR1H2LMNAESR1
SCHEMBL18686301 0.74 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1PTPRZ1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165365-A Preparation method and application of composite heat stabilizer 万华化学集团股份有限公司 2024-06-11 CN claimed
CN-116603117-B Super-hydrophobic drug structure coating with drug release performance and preparation method thereof 四川大学华西医院 2023-10-13 CN claimed
CN-116603117-A Super-hydrophobic drug structure coating with drug release performance and preparation method thereof 四川大学华西医院 2023-08-18 CN claimed
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO claimed
WO-2023027630-A2 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-02 WO claimed
CN-114602202-A Rectifying tower is used in production of P trifluoro methylthio phenol 江苏永创医药科技股份有限公司 2022-06-10 CN claimed
CN-107033044-B A kind of preparation method of pair of trifluoromethylthio phenol 江苏凌云药业股份有限公司 2019-02-12 CN claimed
CN-108484458-A A kind of 3- methyl -4-(4- trifluoromethylthio benzene)The Industrialized synthesis method of oxygroup nitrobenzene 江苏凌云药业股份有限公司 2018-09-04 CN claimed
CN-108373434-A A method of nitre phenylate is synthesized by 2- amino -5- nitrotoleunes 江苏凌云药业股份有限公司 2018-08-07 CN claimed
CN-107033044-A A kind of preparation method to trifluoromethylthio phenol 江苏凌云药业股份有限公司 2017-08-11 CN claimed
CN-1370144-A Aromatic sulfone hydroxamic acid metalloprotease inhibitor SEARLE & CO (US) 2002-09-18 CN claimed
EP-1230219-A1 AROMATIC SULFONS HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. Searle & Co. (US) 2002-08-14 EP claimed
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR PHARMACIA CORPORATION 2001-11-08 US claimed
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR BARTA THOMAS E (US) 2001-08-16 US claimed
CN-1279669-A Aromatic sulfone hydroxamic acid metalloprotease inhibitors SEARLE & CO (US) 2001-01-10 CN claimed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP claimed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO claimed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 WO claimed
EP-0370219-A1 4-Trifluor methyl mercaptophenols and their preparation BAYER AG (DE) 1990-05-30 EP claimed
EP-0093976-B1 2,4-DIHALOGENBENZOYL UREAS AND THIOUREAS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-09-10 EP 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 (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-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 ALDH1A1 535/4885KDM4E 461/4885TDP1 1409/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 ALDH1A1 535/4885KDM4E 461/4885TDP1 1409/4885

“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.