SCHEMBL514624

SCHEMBL514624

O=[C]COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
AOC3 Q16853 1/20 0.44
EPHX2 P34913 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACACB O00763 1/20 0.38
KIF11 P52732 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2170360 0.82 CA12 (0.42) MAOBL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL22527540 0.80 CA12 (0.49) MAOBAOC3EPHX2MRGPRX4L3MBTL1
SCHEMBL10707563 0.80 ACACB (0.39) ALDH1A1ACACBKIF11SMN1; SMN2
SCHEMBL513003 0.80 ALDH1A1 (0.49) MAOBAOC3MRGPRX4ALDH1A1KIF11
SCHEMBL97113 0.77 EPHX2 (0.47) MAOBAOC3EPHX2MRGPRX4L3MBTL1
SCHEMBL2095929 0.77 MAOB (0.47) MAOBAOC3EPHX2MRGPRX4L3MBTL1
SCHEMBL99544 0.77 DAO (0.43) MAOBL3MBTL1CYP1A2CYP2C19NPC1
SCHEMBL3941478 0.76 SLC6A4 (0.45) EPHX2ALDH1A1MAPTACACBGPR84
SCHEMBL254957 0.75 MAPT (0.56) MAOBAOC3EPHX2L3MBTL1ALDH1A1
SCHEMBL2089953 0.73 MAOB (0.45) MAOBAOC3EPHX2MRGPRX4L3MBTL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107284-A Water-soluble derivatives of epipodophyllotoxin, process for their preparation, their use as medicinal products and their intended use in anti-cancer treatments PIERRE FABRE MEDICAMENT (FR) 2000-08-22 US claimed
EP-0787135-B1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PF MEDICAMENT (FR) 2000-05-24 EP claimed
EP-0787135-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1997-08-06 EP claimed
EP-0675895-B1 ETOPOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A DRUG AND IN THE PREPARATION OF A DRUG FOR TREATING CANCER PF MEDICAMENT (FR) 1997-07-23 EP claimed
US-5643885-A Etoposide derivatives, process for preparing them, their use as a medicinal product and their use for the preparation of a medicinal product intended for anti-cancer treatment PIERRE FABRE MEDICAMENT (FR) 1997-07-01 US claimed
JP-H08504795-A 1996-05-21 JP claimed
WO-1996012727-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO claimed
WO-2024129931-A1 ALPHA-V BETA-6(ανβ6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-6107284-A Water-soluble derivatives of epipodophyllotoxin, process for their preparation, their use as medicinal products and their intended use in anti-cancer treatments PIERRE FABRE MEDICAMENT (FR) 2000-08-22 US disclosed
EP-0787135-B1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PF MEDICAMENT (FR) 2000-05-24 EP disclosed
EP-0787135-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1997-08-06 EP disclosed
EP-0675895-B1 ETOPOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A DRUG AND IN THE PREPARATION OF A DRUG FOR TREATING CANCER PF MEDICAMENT (FR) 1997-07-23 EP disclosed
US-5643885-A Etoposide derivatives, process for preparing them, their use as a medicinal product and their use for the preparation of a medicinal product intended for anti-cancer treatment PIERRE FABRE MEDICAMENT (FR) 1997-07-01 US disclosed
WO-1996012727-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1996-05-02 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 MAOB 3755/4885AOC3 894/4885EPHX2 1753/4885

“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.