SCHEMBL309831

SCHEMBL309831

COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.72
ALDH1A1 P00352 6/20 0.71
LMNA P02545 4/20 0.71
MAPT P10636 11/20 0.62
CYP2C9 P11712 3/20 0.62
HTT P42858 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
KMT2A Q03164 4/20 0.55
POLB P06746 2/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTR6 P50406 1/20 0.52
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.49
PTGDR Q13258 1/20 0.48

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
SCHEMBL2204710 0.95 ALDH1A1 (0.73) SIRT6ALDH1A1LMNAMAPTCYP2C9
SCHEMBL3641803 0.93 SIRT6 (0.63) SIRT6ALDH1A1LMNAMAPTCYP2C9
SCHEMBL310163 0.89 ALDH1A1 (0.60) SIRT6ALDH1A1LMNAMAPTCYP2C9
SCHEMBL520015 0.84 SIRT6 (1.00) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL519977 0.84 ALDH1A1 (0.60) SIRT6ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6367942 0.84 ALDH1A1 (1.00) SIRT6ALDH1A1LMNAMAPTCYP2C9
SCHEMBL29788578 0.84 ALDH1A1 (1.00) SIRT6ALDH1A1LMNAMAPTCYP2C9
SCHEMBL23654648 0.83 SIRT6 (0.78) SIRT6ALDH1A1LMNAMAPTCYP2C9
SCHEMBL13395160 0.83 SIRT6 (0.78) SIRT6ALDH1A1LMNAMAPTHTT
SCHEMBL29800124 0.82 ALDH1A1 (0.97) SIRT6ALDH1A1LMNAMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
CN-106905245-B 2, 4-disubstituted pyrimidines 正大天晴药业集团股份有限公司 2021-06-25 CN disclosed
US-20200165241-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2020-05-28 US disclosed
US-20200165241-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2020-05-28 US disclosed
US-10479788-B2 Compounds that inhibit MPS1 kinase CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-11-19 US disclosed
US-10479788-B2 Compounds that inhibit MPS1 kinase CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-11-19 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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-10479788-B2 Compounds that inhibit MPS1 kinase BUB1B, BUB1, CDK1 SIRT6 3693/4885ALDH1A1 4006/4885LMNA 1312/4885
US-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 SIRT6 3640/4885ALDH1A1 3742/4885LMNA 1306/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SIRT6 1497/4885ALDH1A1 3410/4885LMNA 2828/4885
US-11046688-B2 Inhibitor compounds BUB1B, BUB1, CDK1 SIRT6 3640/4885ALDH1A1 3742/4885LMNA 1306/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 SIRT6 3640/4885ALDH1A1 3742/4885LMNA 1306/4885
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 SIRT6 1461/4885ALDH1A1 378/4885LMNA 4161/4885
US-20200165241-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 SIRT6 3640/4885ALDH1A1 3742/4885LMNA 1306/4885

“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.