SCHEMBL1169028

SCHEMBL1169028

O=C(O)c1cc([N+](=O)[O-])cc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SRD5A2 P31213 1/20 0.43
ATM Q13315 1/20 0.42
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CASR P41180 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL29985009 1.00 TP53 (0.50) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL28967049 0.88 CYP3A4 (0.47) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL232779 0.81 TP53 (0.64) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL29944162 0.81 CYP3A4 (0.65) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL132541 0.81 CYP3A4 (0.65) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL816365 0.81 CYP19A1 (0.48) TDP1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL9312899 0.81 CYP19A1 (0.54) TDP1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL28967010 0.81 ATM (0.51) TP53CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL1635708 0.81 HTT (0.50) SMN1; SMN2MEN1KMT2AALOX5ALDH1A1
Hydrochloric Acid SCHEMBL3088495 0.79 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803316-A Pyridone compound and preparation method and application thereof 深圳晶泰科技有限公司 2023-03-14 CN disclosed
CN-111454186-B Aryl formanilide compound containing pentafluorothio and preparation method and application thereof 山东省联合农药工业有限公司 2022-11-08 CN disclosed
CN-111454202-B Heteroaryl formanilide compound containing pentafluorothio and preparation method and application thereof 山东省联合农药工业有限公司 2021-10-01 CN disclosed
CN-111454202-A Heteroaryl formanilide compound containing pentafluorothio and preparation method and application thereof 山东省联合农药工业有限公司 2020-07-28 CN disclosed
CN-111454186-A Aryl formanilide compound containing pentafluorothio and preparation method and application thereof 山东省联合农药工业有限公司 2020-07-28 CN disclosed
EP-3207038-B1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP Bayer Pharma AG (DE) 2018-08-22 EP disclosed
US-9884849-B2 Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 US disclosed
US-9884849-B2 Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 US disclosed
US-20170217938-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-03 US disclosed
US-20170217938-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-03 US disclosed
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-7863269-B2 protease-activated receptor 1 (PAR1) inhibitors such as 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3-iminoimidazo[1,5-a]pyridin-2-yl)ethanone, used as anticoagulants SANOFI-AVENTIS (FR) 2011-01-04 US disclosed
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-07-30 US disclosed
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (FR) 2008-04-17 US disclosed
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (FR) 2008-04-17 US disclosed
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (FR) 2008-04-17 US disclosed
US-7317124-B2 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-7317124-B2 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-7317124-B2 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-20050148652-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-07 US 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 (5 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-20050148652-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO TP53 3117/4885TDP1 2863/4885CYP3A4 29/4885
US-20170217938-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP DHFR, FANCF, FANCI TP53 625/4885TDP1 557/4885CYP3A4 1001/4885
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY F2R, TFPI, F2RL1 TP53 4528/4885TDP1 760/4885CYP3A4 152/4885
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO TP53 3117/4885TDP1 2863/4885CYP3A4 29/4885
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL1, F2RL3 TP53 2149/4885TDP1 620/4885CYP3A4 193/4885

“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.