SCHEMBL7693244

SCHEMBL7693244

Cc1cccc2c1OC(F)(F)C(F)(F)O2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.33
CD44 P16070 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CETP P11597 1/20 0.31
ACHE P22303 2/20 0.31
MAP3K14 Q99558 1/20 0.31
TSHR P16473 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL9058839 0.86 HTR2C (0.30) HTR2C
SCHEMBL423294 0.83 ADORA2A (0.35) HTR2CCD44CYP1A2CYP2A6CA1
SCHEMBL14547572 0.82 HTR2C (0.32) HTR2CCD44CYP1A2CYP2A6CA1
SCHEMBL21937643 0.80 HTR2C (0.31) HTR2CCD44CYP1A2CYP2A6
SCHEMBL14747859 0.80 HTR2C (0.31) HTR2CCD44CYP1A2CYP2A6
SCHEMBL10522329 0.77 ALDH1A1 (0.46) HTR2CCD44CYP1A2CYP2A6CA1
SCHEMBL26304580 0.77 HPGD (0.36) HTR2CCD44CYP1A2CYP2A6CA1
SCHEMBL8958899 0.75 CETP (0.31) CETP
SCHEMBL21009663 0.75 MAP3K14 (0.34) HTR2CCD44CYP1A2CYP2A6CA1
SCHEMBL418853 0.75 CETP (0.33) CD44ALDH1A1CETPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed
WO-2017157735-A1 SUBSTITUTED SULFONYL AMIDES FOR CONTROLLING ANIMAL PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO disclosed
US-9115065-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with Arenaviruses Kineta, Inc. (US) 2015-08-25 US disclosed
US-9067873-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses Kineta Four, LLC (US) 2015-06-30 US disclosed
US-20140378681-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES INC. (US) 2014-12-25 US disclosed
US-20140275037-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2014-09-18 US disclosed
US-8664274-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arena viruses SIGA TECHNOLOGIES, INC. (US) 2014-03-04 US disclosed
US-8658697-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2014-02-25 US disclosed
US-8642596-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arena viruses SIGA TECHNOLOGIES, INC. (US) 2014-02-04 US disclosed
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SIGA TECHNOLOGIES INC. (US) 2013-10-03 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070287698-A1 Tetrahydrobenzo(D)Azepin-2-One Derivatives and the Use Thereof for Treating Cardiovascular Diseases BAYER HEALTHCARE AG (DE) 2007-12-13 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
WO-2002012236-A1 SUBSTITUTED TRIAZOLOPYRID(AZ)INES AS PLANT TREATMENT AGENTS (HERBICIDES) BAYER CROPSCIENCE AG (DE) 2002-02-14 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 (8 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-20140275037-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES GBA1, GK, GCK HTR2C 4150/4885CD44 4212/4885CYP1A2 4380/4885
US-20070287698-A1 Tetrahydrobenzo(D)Azepin-2-One Derivatives and the Use Thereof for Treating Cardiovascular Diseases APOB, PCSK9, BDKRB1 HTR2C 2143/4885CD44 4436/4885CYP1A2 763/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 HTR2C 994/4885CD44 793/4885CYP1A2 631/4885
US-20140378681-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES GBA1, GK, GCK HTR2C 4150/4885CD44 4212/4885CYP1A2 4380/4885
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SORD, GBA1, GK HTR2C 4201/4885CD44 3344/4885CYP1A2 4716/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR HTR2C 942/4885CD44 818/4885CYP1A2 576/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR HTR2C 936/4885CD44 844/4885CYP1A2 589/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA HTR2C 2758/4885CD44 1390/4885CYP1A2 685/4885

“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.