SCHEMBL6448738

SCHEMBL6448738

CC1(F)CCc2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.54
HTR2A P28223 9/20 0.54
HTR2C P28335 9/20 0.54
HTR2B P41595 9/20 0.54
CES1 P23141 1/20 0.45
DRD2 P14416 9/20 0.43
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CYP2A6 P11509 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SRD5A1 P18405 1/20 0.41
PDPK1 O15530 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39

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
SCHEMBL27971438 0.81 NPSR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL29439422 0.81 SIGMAR1 (0.53) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL3054003 0.81 SIGMAR1 (0.57) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL29447988 0.81 SIGMAR1 (0.57) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL4461844 0.81 SIGMAR1 (0.53) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL14358027 0.79 SIGMAR1 (0.56) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL28750475 0.78 SIGMAR1 (0.50) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL8000122 0.78 SIGMAR1 (0.54) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL29683795 0.78 SIGMAR1 (0.50) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL29683505 0.78 SIGMAR1 (0.50) SIGMAR1HTR2AHTR2CHTR2BCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060276-A1 FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUNDS AGC株式会社 2021-04-01 WO disclosed
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 US disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 US disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 US disclosed
WO-2014068341-A2 CHIRAL FLUORINATING REAGENTS ISIS INNOVATION LIMITED (GB) 2014-05-08 WO disclosed
US-20050075501-A1 Ammonium compounds bearing and electrophilic fluorine, reagent containing same, method using same and synthesis method for obtaining them RHODIA CHIMIE (FR) 2005-04-07 US disclosed
EP-1284975-B1 AMMONIUM COMPOUNDS BEARING AN ELECTROPHILIC FLUORINE, REAGENT CONTAINING SAME, METHOD USING SAME AND SYNTHESIS METHOD FOR OBTAINING THEM RHODIA CHIMIE SA (FR) 2004-08-18 EP disclosed
EP-1284975-A1 AMMONIUM COMPOUNDS BEARING AN ELECTROPHILIC FLUORINE, REAGENT CONTAINING SAME, METHOD USING SAME AND SYNTHESIS METHOD FOR OBTAINING THEM RHODIA CHIMIE (FR) 2003-02-26 EP disclosed
WO-2001090107-A1 AMMONIUM COMPOUNDS BEARING AN ELECTROPHILIC FLUORINE, REAGENT CONTAINING SAME, METHOD USING SAME AND SYNTHESIS METHOD FOR OBTAINING THEM RHODIA CHIMIE (FR) 2001-11-29 WO disclosed
US-5478964-A N-fluorosulfonimides and their application as fluorinating agents ALLIED-SIGNAL INC. (US) 1995-12-26 US disclosed
US-5254732-A N-fluorosulfonimides and their application as fluorinating agents ALLIED-SIGNAL INC. (US) 1993-10-19 US disclosed
US-5003074-A N-fluorinated sulfonamides CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
EP-0311086-A1 N-fluorinated sulfon amides, process for their preparation and their use CIBA-GEIGY AG (CH) 1989-04-12 EP 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 (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-20150284401-A1 CHIRAL FLUORINATING REAGENTS TIAM1, AFF2, AFF1 SIGMAR1 158/4885HTR2A 1951/4885HTR2C 724/4885
US-20050075501-A1 Ammonium compounds bearing and electrophilic fluorine, reagent containing same, method using same and synthesis method for obtaining them ARF5, AFF2, ARFGEF1 SIGMAR1 1897/4885HTR2A 4258/4885HTR2C 3999/4885

“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.