SCHEMBL2274095

SCHEMBL2274095

CCN(CC)CCS(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
CA2 P00918 4/20 0.39
CA1 P00915 4/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SIGMAR1 Q99720 2/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
GFER P55789 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
SCHEMBL3903880 0.85 NPSR1 (0.46) NPSR1CA2CA1CA12CA14
SCHEMBL20760744 0.83 NPSR1 (0.44) NPSR1CA2CA1CA12CA14
SCHEMBL2489155 0.78 CA2 (0.43) CA2CA1CA12CA14CA9
SCHEMBL12846705 0.78 NPSR1 (0.38) NPSR1CA2CA1CA12CA14
SCHEMBL6494972 0.77 LTA4H (0.37) CA2CA1CA12CA14
SCHEMBL10297356 0.76 NPSR1 (0.36) NPSR1CA1SIGMAR1
SCHEMBL20761989 0.75 CA2 (0.50) CA2CA1CA12CA9MAPK1
SCHEMBL3117109 0.74 NPSR1 (0.44) NPSR1CA1SIGMAR1ALDH1A1MAPK1
SCHEMBL14854988 0.74 NPSR1 (0.35) NPSR1CA1SIGMAR1
SCHEMBL6495582 0.73 CA2 (0.34) CA2CA1CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US claimed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US claimed
US-11773058-B2 Sulfonamide carboxamide compounds INFLAZOME LIMITED (IE) 2023-10-03 US disclosed
US-11773058-B2 Sulfonamide carboxamide compounds INFLAZOME LIMITED (IE) 2023-10-03 US disclosed
US-11773058-B2 Sulfonamide carboxamide compounds INFLAZOME LIMITED (IE) 2023-10-03 US disclosed
CN-109557707-B Liquid crystal display device having a plurality of pixel electrodes DIC株式会社 2022-10-21 CN disclosed
CN-110300919-B Liquid crystal display device having a plurality of pixel electrodes DIC株式会社 2022-07-01 CN disclosed
US-20200331850-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2020-10-22 US disclosed
US-20200331850-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2020-10-22 US disclosed
CN-111107903-A Novel sulfonamide carboxamide compounds 英夫拉索姆有限公司 2020-05-05 CN disclosed
WO-2019034696-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20080261970-A1 Sufonamides and Uses Thereof ELIXIR PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
US-20050261332-A1 Sulfonamides and uses thereof ELIXIR PHARMACEUTICALS, INC. 2005-11-24 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 (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-11773058-B2 Sulfonamide carboxamide compounds NLRP3, NOD1, NLRP1 NPSR1 132/4885CA2 1651/4885CA1 2065/4885
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 NPSR1 2860/4885CA2 2800/4885CA1 4174/4885
US-20080261970-A1 Sufonamides and Uses Thereof CYP21A2, LPXN, OAT NPSR1 1131/4885CA2 3198/4885CA1 2233/4885
US-20200331850-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS NLRP3, NOD1, NLRP1 NPSR1 142/4885CA2 1432/4885CA1 1970/4885
US-20050261332-A1 Sulfonamides and uses thereof GLS2, STS, ABAT NPSR1 1535/4885CA2 3211/4885CA1 2281/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS NPSR1 4167/4885CA2 735/4885CA1 1855/4885
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 NPSR1 39/4885CA2 3515/4885CA1 3941/4885

“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.