SCHEMBL3556690

SCHEMBL3556690

O=[N+]([O-])c1[c]cccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
RORC P51449 1/20 0.33
KIF11 P52732 1/20 0.33
MAPK1 P28482 2/20 0.32
PARP1 P09874 1/20 0.32
EPAS1 Q99814 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
PDE7A Q13946 1/20 0.31
CYP3A4 P08684 6/20 0.31
CYP1A2 P05177 4/20 0.31
ADORA3 P0DMS8 4/20 0.31
CYP2C9 P11712 4/20 0.31
CYP2C19 P33261 4/20 0.31
TSHR P16473 4/20 0.31
MAPT P10636 3/20 0.31
NFKB1 P19838 2/20 0.31
CACNA1C Q13936 2/20 0.31
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL2016088 0.81 MEN1 (0.38) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL7646276 0.76 ABCC8 (0.36) ALDH1A1KIF11EPAS1SIRT6PDE7A
SCHEMBL7907935 0.75 LMNA (0.33) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL2075135 0.75 MAPT (0.36) ALDH1A1MAPK1CYP3A4CYP2C9TSHR
SCHEMBL8072962 0.74 AKR1C3 (0.34) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL17046375 0.74 MPI (0.37) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4669683 0.74 AKR1C3 (0.40) ALDH1A1RORCKIF11MAPK1PDE7A
SCHEMBL5404643 0.73 ALDH1A1 (0.38) ALDH1A1KIF11PARP1CYP3A4TSHR
SCHEMBL2123262 0.73 KMT2A (0.40) ALDH1A1MAPK1MAPTHSD11B1MEN1
SCHEMBL33832 0.72 TDP1 (0.46) ALDH1A1MAPK1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP claimed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP claimed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 EP claimed
EP-2651893-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
EP-1776116-B1 VETERINARY COMPOSITION COMPRISING AN ARYLPYRAZOLE AND A NITROENAMINE WITH ENHANCED ANTIPARASITIC ACTIVITY INTERVET INT BV (NL) 2010-09-29 EP claimed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 US disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
WO-1996040675-A1 THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS SUGEN, INC. (US) 1996-12-19 WO disclosed
US-5075208-A Releasing a photographically useful compound upon reduction FUJI PHOTO FILM CO., LTD. (JP) 1991-12-24 US disclosed
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 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 (6 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-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 ALDH1A1 1597/4885RORC 1682/4885KIF11 3952/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885RORC 129/4885KIF11 4088/4885
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 ALDH1A1 73/4885RORC 129/4885KIF11 4162/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885RORC 129/4885KIF11 4088/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885RORC 129/4885KIF11 4088/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885RORC 129/4885KIF11 4088/4885

“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.