SCHEMBL862931

SCHEMBL862931

CS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
MMP1 P03956 1/20 0.61
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
CES2 O00748 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
PTGS2 P35354 1/20 0.49
HSD17B2 P37059 1/20 0.49
KIF11 P52732 1/20 0.49
AKR1B1 P15121 1/20 0.49
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
FFAR1 O14842 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47

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
SCHEMBL25628938 0.85 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL8270784 0.85 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL25120144 0.83 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL30859041 0.83 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL8863056 0.83 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL4631894 0.82 KIF11 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL798087 0.82 KIF11 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL4616498 0.82 CA1 (0.62) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL11261755 0.82 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL1894781 0.82 CA1 (0.62) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2020-07-02 US disclosed
WO-2020047487-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS AND STATINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-05 WO disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
CN-105849101-B New imidazolidine -2,4- derovatives 益普生制药股份有限公司 2019-02-19 CN disclosed
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
CN-103980202-B 4-benzoyl pyrazole compound with herbicidal activity 青岛清原化合物有限公司 2017-01-18 CN disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
CN-1332944-C Amino acid accelerated CuI catalyzed aryl halide and coupling reaction of alkyl sulfonate SHANGHAI INST ORGANIC CHEM (CN) 2007-08-22 CN disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
WO-2007068418-A1 USE OF PYRROLO [2 , 3-B] PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN NOVARTIS AG (CH) 2007-06-21 WO disclosed
US-7214698-B2 Beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-08 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
EP-1187811-B1 INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2007-03-07 EP disclosed
CN-1651408-A Amino acid accelerated CuI catalyzed aryl halide and coupling reaction of alkyl sulfonate SHANGHAI INST ORGANIC CHEM (CN) 2005-08-10 CN 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-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 CA1 4045/4885CA2 4015/4885MMP1 3355/4885
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORA, RORC, RORB CA1 2851/4885CA2 1843/4885MMP1 3531/4885
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 CA1 1092/4885CA2 2292/4885MMP1 2287/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CA1 3353/4885CA2 3978/4885MMP1 186/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR CA1 871/4885CA2 588/4885MMP1 2148/4885

“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.