SCHEMBL2369020

SCHEMBL2369020

CS(=O)(=O)c1ccc(F)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
CCR2 P41597 1/20 0.43
PTGS2 P35354 7/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DDR1 Q08345 1/20 0.38
PTGS1 P23219 3/20 0.38
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MT-CO1 P00395 1/20 0.37
MT-CO2 P00403 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 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
SCHEMBL29545876 1.00 KMT2A (0.49) KMT2ACCR2PTGS2ADRA2AADRA2C
SCHEMBL30488778 0.83 PTGS2 (0.41) KMT2ACCR2PTGS2ADRA2AADRA1D
SCHEMBL1272338 0.83 PTGS2 (0.41) KMT2ACCR2PTGS2ADRA2AADRA1D
SCHEMBL23978197 0.81 CA2 (0.50) KMT2APTGS2PTGS1PTGES2
SCHEMBL31645221 0.79 KMT2A (0.49) KMT2ACCR2EPHX2TSHREPAS1
SCHEMBL434170 0.79 KMT2A (0.49) KMT2ACCR2EPHX2TSHREPAS1
SCHEMBL30228782 0.79 KMT2A (0.45) KMT2AEPHX2KDM4ECYP3A4TSHR
SCHEMBL15352923 0.79 KMT2A (0.45) KMT2AEPHX2KDM4ETSHREPAS1
SCHEMBL2646368 0.78 HSP90AA1 (0.43) CCR2L3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL644662 0.78 CCR2 (0.57) CCR2PTGS2ADRA2AADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
EP-3340981-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-10-12 EP disclosed
EP-4053117-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-09-07 EP disclosed
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 CN disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 US disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 EP disclosed
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 WO disclosed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
EP-2121661-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 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 (7 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-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 KMT2A 3874/4885CCR2 2461/4885PTGS2 1740/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 KMT2A 3835/4885CCR2 2632/4885PTGS2 1624/4885
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 KMT2A 4766/4885CCR2 405/4885PTGS2 480/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 KMT2A 3874/4885CCR2 2461/4885PTGS2 1740/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 KMT2A 3874/4885CCR2 2461/4885PTGS2 1740/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 KMT2A 4763/4885CCR2 458/4885PTGS2 557/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 KMT2A 3874/4885CCR2 2461/4885PTGS2 1740/4885

“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.